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Publications
 
Researchers have intensively used VLifeMDS for diverse applications to pursue their discovery endeavors. Many of these works have been published in journals, magazines and other print & electronic media.

Some of the unique methods available in VLifeMDS have also been published in reputed international scientific journals. The VLife team has also presented its work and methodologies in international conferences and seminars.

Please use the citations below to cite VLifeMDS.
VLifeMDS: Molecular Design Suite, VLife Sciences Technologies Pvt. Ltd., Pune, India, 2010 (www.vlifesciences.com).

Research publications
VLifeMDS citations in patents
  • Compositions for enhancing memory and methods therefor
    Publication Date: 30.03.2006 (WO/2006/034196)
    Publication Date:03/23/2006 United States Patent 20060063707
  • Isoflavonoid analogs and their metal complexes as anti-cancer agents
    Publication Date:05/31/2007
    United States Patent 20070122843
  • Molecule fragmentation scheme and method for designing new molecules
    Publication Date:24/07/2008 (WO2008/087658)

 

2017

Research publications

  • Moustafa T. Gabr, Nadia S. El-Gohary, Eman R. El-Bendary, Mohamed M. El-Kerdawy, Nanting Ni
    "Isatin-ß-thiocarbohydrazones: Microwave-assisted synthesis, antitumor activity and structure-activity relationship"
    European Journal of Medicinal Chemistry,(2017)
    DOI: http://dx.doi.org/10.1016/j.ejmech.2017.01.030

  • Divya Dheer,Virender Singh, Ravi Shankar
    "Medicinal attributes of 1,2,3-triazoles: Current developments"
    Bioorganic Chemistry,(2017)
    DOI: http://dx.doi.org/10.1016/j.bioorg.2017.01.010

2016

Research publications

  • Kumbhar Santosh Sahadeo, Choudhari Prafulla Balkrishna, Pawar Vasanti Suresh, Bhatia Neela Manish, Bhatia Manish Sudesh
    " Factor VIIa and Factor IXa Inhibitors as Anticoagulants: A Review "
    Indian Journal of Pharmaceutical Education and Research,(2016)
    DOI:10.5530/ijper.51.1.1

  • Ghode Piyush, Tripathi Ravi, K. Jain Sanmati,
    " 2-(2-Arylidenehydrazinyl) Thiazol-4(5H)-ones as Epidermal Growth Factor Receptor Inhibitors: A Combined Quantitative Structure Activity Relationship and Pharmacophore Study "
    Current Enzyme Inhibition,12(2),137-144,(2016)

  • Mukesh C. Sharma
    " Identification of 3-Nitro-2,4,6-trihydroxybenzamide Derivatives as Photosynthetic Electron Transport Inhibitors by QSAR and Pharmacophore Studies "
    Interdisciplinary Sciences: Computational Life Sciences,(2016)
    DOI:10.1007/s12539-015-0019-9

  • Sandeep Sankpal, Prafulla Choudhari, Santosh Kumbhar, Siddharth Phalle, Madhukar Deshmukh
    " One pot synthesis and docking study of some tetrahydrobenzo[b]pyran derivatives as extended spectrum class lactamase inhibitors for urinary tract infection "
    Thai Journal of Pharmaceutical Sciences, 40(3), 190-193,(2016)

  • Sunil Menghani, Deweshri Kerzare, Nilesh Rarokar, Pramod Khedekar
    " Molecular Docking, Synthesis and Evaluation of Antianxiety and Anticonvulsant potential of some Novel 3-(substituted benzylidene)5-phenyl-7-nitro-1, 3-dihydro-1H, 3H-1,4-Benzodiazepine-2-one "
    American Journal of PharmTech Research,(2016)

More
  • M. C. Sharma,S. Sharma
    " Exploration of important sites of angiotensin II AT1 receptor of Pyrido [2, 3-d] pyrimidine analogues for structural modification using computational approach "
    Network Modeling Analysis in Health Informatics and Bioinformatics,(2016)
    DOI:10.1007/s13721-016-0143-4

  • Dinesh D.Rishipathak, Kamlesh V.Patil, Poonam S.Wajpeyi and Madhuri J.Daryan
    " DESIGN AND MOLECULAR DOCKING STUDIES OF SOME 1,3,4-THIADIAZOLE DERIVATIVES "
    International Journal of Pharmaceutical Sciences and Research, 7(12),5044-5051,(2016)

  • R. N.Deshmukh and R. V.Dengle
    " SYNTHESIS, CHARACTERIZATION AND IN VITRO ANTICANCER EVALUATION OF BIS-[1,5]-BENZOTHIAZEPINES AGAINST HUMAN BREAST CANCER CELL LINE MCF-7 "
    International Journal of Pharmaceutical Sciences and Research,7(12),5024-5029,(2016)

  • Jyoti Mareddy, b, N. Suresh, C. Ganesh Kumar, Ravikumar Kapavarapu, A. Jayasree, Sarbani Pal
    " 1,2,3-Triazole-nimesulide hybrid: Their design, synthesis and evaluation as potential anticancer agents "
    Bioorganic & Medicinal Chemistry Letters,(2016)
    DOI: 10.1016/j.bmcl.2016.12.030

  • Madhulata Kumari, Neeraj Tiwari,Naidu Subbarao,Subhash Chandra
    " Hit To Lead Optimization, And 3D QSAR Modeling of Imidazolopiperazines Derivatives against Malaria Based On PLSR Machine Learning Technique "
    Imperial Journal of Interdisciplinary Research,2(12),1142-1149,(2016)

  • Mangesh V. Suryavanshi, Samadhan R. Waghmode, Nidhi Bharti, Prafulla B. Choudhari, Tejashri B. Hingamire, Yogesh S. Shouche
    " Isolation and virtual screening of antimicrobial prodigiosin pigment from oxalotrophic Serratia marcescens OX_R strain "
    Journal of Applied Pharmaceutical Science,6(11), 052-058,(2016)

  • Nitendra K. Sahu, Vivek Chourasia, Sanjay J. Ingle, Kamlendra S. Bhadoriya
    " QSAR Analysis of 7-Substituted 4Aminoquinolines for Designing Potent Antimalarial Agents "
    Journal of Chronotherapy and Drug Delivery,7(2),51-62,(2016)

  • Udugade Babaso Vitthal, Gawade Shivaji Pratapro
    " 3D QSAR AND PHARMACOPHORE MODELING ON SUBSTITUTED CYANOPYRROLIDINES AS TYPE II ANTI-DIABETIC AGENTS POTENTIAL DIPEPTIDYL PEPTIDASE-IV INHIBITORS "
    Pharmacophore,7(5),342-348,(2016)

  • Khan, F. A. K., Patil, R. H., Patil, M., Arote, R., Shinde, D. B. and Sangshetti, J. N.
    " Bacterial Peptide Deformylase Inhibition of Tetrazole-Substituted Biaryl Acid Analogs: Synthesis, Biological Evaluations, and Molecular Docking Study "
    Archiv der Pharmazie,(2016)
    DOI: 10.1002/ardp.201600254

  • Monika Awasthi, Sk. Abdul Amin, Vijaya Shukla, Sanskar Jain, Umesh Kumar Patil and Shovanlal Gayen
    " Structural requirements of some derivatives based on natural alkaloid lycorine for their dengue inhibitory activity to accelerate dengue drug discovery efforts "
    Indian Journal of Natural Products and Resources,7(3),221-228,(2016)

  • Mukesh C. Sharma
    " Rationalization of physicochemical characters and structural determinants of benzimidazole analogues as casein kinase 2 inhibitors: computational approach "
    Network Modeling Analysis in Health Informatics and Bioinformatics,(2016)
    DOI: 10.1007/s13721-016-0139-0

  • S.A. Deodware, D.J. Sathe, P.B. Choudhari, T.N. Lokhande, S.H. Gaikwad
    " Development and molecular modeling of Co(II), Ni(II) and Cu(II) complexes as high acting anti breast cancer agents "
    Arabian Journal of Chemistry,(2016)
    DOI: http://dx.doi.org/10.1016/j.arabjc.2016.09.024

  • Shivaratna Khare, Prajakta Subramani, Sujata Choudhari, Siddharth Phalle, Santosh Kumbhar, Atul Kadam, Prafulla B. Choudhari
    " K Nearest Neighbor and 3D QSAR Analysis of Thiazolidinone Derivatives as Antitubercular Agents "
    Journal of Pharmaceutical Research,(2016)
    DOI: 10.18579/jpcrkc/2016/15/3/103037

  • Ajinkya A. Patravale,Anil H. Gore, Govind B. Kolekar, Madhukar B. Deshmukh, Prafulla B. Choudhari, Manish S. Bhatia, Shivadatta Prabhu,Mahendra D. Jamdhade, Milind S. Patole, Prashant V. Anbhule
    " Synthesis, biological evaluation and molecular docking studies of some novel indenospiro derivatives as anticancer agents "
    Journal of the Taiwan Institute of Chemical Engineers,(2016)
    DOI: http://dx.doi.org/10.1016/j.jtice.2016.09.034

  • Manish S. Bhatia, Santosh S. Kumbhar, Vikram S. Kawade, Prafulla B. Choudhari, Neela M. Bhatia, Sandip B. Patil, Pradip B. Patil
    " Exploration of Anticancer Potential of Spiropyranopyrazole Derivatives as CDK7 Inhibitors "
    Journal of Pharmaceutical Research,(2016)
    DOI: 10.18579/jpcrkc/2016/15/3/103039

  • Prafulla B. Choudhari, Manish S. Bhatia, Swapnil D. Jadhav, Santosh S. Kumbhar, Kundan B. Ingale, Vinod L. Gaikwad
    " Design and development of potent and selective factor IXa inhibitors "
    Journal of the Taiwan Institute of Chemical Engineers,(2016)
    DOI: http://dx.doi.org/10.1016/j.jtice.2016.09.036

  • Rajnikanth Sunke, E. V. Venkat Shivaji Ramarao,Suresh Babu Nallapati,Raghavender Medisetti,Pushkar Kulkarni,Ravi Kumar Kapavarapu,Ramudu Bankala,Kishore V. L. Parsa,Manojit Pal
    " Copper-Catalyzed Domino Reaction Involving Nitro as an Unexpected Leaving Group: Construction of Dibenzo-Fused Azepinone Ring "
    Advanced Synthesis and Catalysis,(2016)
    DOI: 10.1002/adsc.201600748

  • Kirti T Patil, L S Walekar, S S Undare, G B Kolekar, Madhukar B Deshmukh, P B Choudhari, Prashant V Anbhule
    " Selective synthesis of 10,11-dihydrochromeno[4,3-b]chromene-6,8(7H,9H)-dione using copper oxide nanoparticles for potential inhibitors of ß-ketoacyl-[acyl-carrier-protein] synthase III of Mycobacterium tuberculosis "
    Indian Journal of Chemistry,55B, 1151-1159 ,(2016)

  • Prakash Bansode,Jagannath Jadhav, Rajanikant Kurane, Prafulla Choudhari, Manish Bhatia, Sharanabasappa Khanapure, Rajashri Salunkhe and Gajanan Rashinkar
    " Potentially antibreast cancer enamidines via azide–alkyne–amine coupling and their molecular docking studies "
    RSC Advances ,(2016)
    DOI: 10.1039/C6RA20583F

  • Jagdale Swati, Kulkarni Anish, Chabukswar Anuruddha, Kuchekar Bhanudas
    " Design and Evaluation of Microwave Induced Solid Dispersion of Tinidazole and Molecular Modelling with ß-cyclodextrin "
    Letters in Drug Design & Discovery,13(8),781-792 ,(2016)

  • Firoz A.Kalam Khan, Kaivalya S. Jadhav, Rajendra H. Patil, Devanand B. Shinde, Rohidas B. Arote, Jaiprakash N. Sangshetti,
    " Biphenyl tetrazole-thiazolidinediones as novel bacterial peptide deformylase inhibitors: Synthesis, biological evaluations and molecular docking study "
    Biomedicine & Pharmacotherapy,(2016)
    DOI : http://dx.doi.org/10.1016/j.biopha.2016.08.036

  • Prafulla Choudhari, Santosh Kumbhar,Siddharth Phalle, Sujata Choudhari, Sujit Desai, Shivratna Khare, Swapnil Jadhav,
    " Application of group-based QSAR on 2-thioxo-4-thiazolidinone for development of potent anti-diabetic compounds "
    Journal of Molecular Structure,(2016)
    DOI : http://dx.doi.org/10.1016/j.molstruc.2016.09.007

  • Rajeev Kumar Singla, Radha Singh and Ashok Kumar Dubey
    " Important Aspects of Post-Prandial Antidiabetic Drug, Acarbose "
    Current Topics in Medicinal Chemistry,(2016)
    DOI : 10.2174/1568026616666160414123500

  • Arun Bahadur Gurung, Kripamoy Aguan, Sivaprasad Mitra & Atanu Bhattacharjee
    " Identification of molecular descriptors for design of novel Isoalloxazine derivatives as potential Acetylcholinesterase inhibitors against Alzheimer’s disease "
    Journal of Biomolecular Structure and Dynamics,(2016)
    DOI : http://dx.doi.org/10.1080/07391102.2016.1192485

  • Onkara Perumal, Sagar Vijay Kumar Peddakotla, Lingala Suresh, G. V. P. Chandramouli & Y. Pydisetty
    " a-Glucosidase inhibitory activity, molecular docking, QSAR and ADMET properties of novel 2-amino-phenyldiazenyl-4H-chromene derivatives "
    Journal of Biomolecular Structure and Dynamics,(2016)
    DOI : http://dx.doi.org/10.1080/07391102.2016.1227278

  • Madhulata Kumari, Subhash Chandra, Neeraj Tiwari and Naidu Subbarao
    " 3D QSAR, pharmacophore and molecular docking studies of known inhibitors and designing of novel inhibitors for M18 aspartyl aminopeptidase of Plasmodium falciparum "
    BMC Structural Biology,(2016)
    DOI : 10.1186/s12900-016-0063-7

  • Sakinala Padmavathi and Madhukar Rajaram Tajne
    " Design, synthesis, molecular docking studies and anti-microbial activity of novel 1,2,3,4-tetrahydrocarbazole derivatives "
    International Current Pharmaceutical Journal,5(9),73-78,(2016)

  • Aditi Singh, Sukriti Goyal, Salma Jamal, Bala Subramani, Mriganko Das, Nikita Admane, Abhinav Grover
    " Computational identification of novel piperidine derivatives as potential HDM2 inhibitors designed by fragment-based QSAR, molecular docking and molecular dynamics simulations "
    Structural Chemistry,27(3),993–-1003,(2016)

  • Firoz A. Kalam Khan, Rajendra H. Patil, Devanand B. Shinde andJaiprakash N. Sangshetti
    " Design and synthesis of 4'-((5-benzylidene-2,4-dioxothiazolidin-3-yl)methyl)biphenyl-2-carbonitrile analogs as bacterial Peptide deformylaseinhibitors "
    Chemical Biology & Drug Design,(2016)
    DOI: 10.1111/cbdd.12817

  • Mayura Kale, Rajesh Nawale, Gajanan Sonawane and Ratnamala Survase
    " 2D and 3D QSAR Analysis of some novel 2-{[2-(1H-imidazol-1-yl)ethyl]sulfanyl}-1H-benzimidazole derivatives "
    Der Pharma Chemica,8(10),57-62,(2016)

  • Shaffali Singla, Poonam Piplani
    " Coumarin derivatives as potential inhibitors of acetylcholinesterase: Synthesis, molecular docking and biological studies "
    Bioorganic & Medicinal Chemistry,(2016)
    DOI : 10.1016/j.bmc.2016.07.061

  • Mukesh C. Sharma, Smita Sharma
    " Molecular modeling studies of 3-acyl-2-phenylamino-1,4-dihydroquinolin-4-one derivatives as phosphatase SerB653 inhibitors "
    Medicinal Chemistry Research,(2016)
    DOI : 10.1007/s00044-016-1624-9

  • Akanksha Kulshreshtha, Poonam Piplani
    " Ameliorative effects of amide derivatives of 1,3,4-thiadiazoles on scopolamine induced cognitive dysfunction "
    European Journal of Medicinal Chemistry,(2016)
    DOI : 10.1016/j.ejmech.2016.06.046

  • P.S. Manjula, B. K. Sarojini, B. Narayana, C. G. Darshan Raj
    " AN EXPLORATION ON THE SYNTHESIS AND BIO-APPLICATIONS OF DERIVATIVES OF HETEROCYCLIC MANNICH BASES "
    Journal of Fundamental and Applied Sciences,(2016)
    DOI : http://dx.doi.org/10.4314/jfas.v8i1.9

  • Dinne Naresh Kumar Reddy, Kothapalli Bannoth Chandrasekhar, Yaddanapudi Sesha Siva Ganesh, G. Rajeshwar Reddy, J. Pradeep Kumar, Ravikumar Kapavarapu and Manojit Pal
    " FeF3-catalyzed MCR in PEG-400: ultrasound assisted synthesis of N-substituted 2-aminopyridines "
    RSC Advances,(2016)
    DOI : 10.1039/C6RA14228A

  • Vidyakant Kushwaha, Suresh Nair, Vivek Dwivedi, Raj K. Prasad, Pragya Dubey
    " In Silico 3D QSAR Analysis of New Furanones Derivatives as Antibacterial agen "
    INTERNATIONAL JOURNAL OF PHARMACEUTICS & DRUG ANALYSIS,4(6),300-309,(2016)

  • Lingala Suresh, P. Onkara, P. Sagar Vijay Kumar, Y. Pydisetty, G.V.P. Chandramouli,
    " Ionic liquid-promoted multicomponent synthesis of fused tetrazolo[1,5-a] pyrimidines as a-glucosidase inhibitors "
    Bioorganic & Medicinal Chemistry Letters,(2016)
    DOI : 10.1016/j.bmcl.2016.06.086

  • Prashant A. Patil, Sandeep S. Pathare, Kishore P. Bhusari
    " QSAR and docking study of p-hydroxyphenylbenzohydr azide derivatives as ACE inhibiters- an antihypertensive agents "
    International Journal of Pharm Tech Research, 9(5),306-314,(2016)

  • Konda Leela Sarath Kumar , Sujit R. Tangadpalliwar , Aarti Desai, Vivek K. Singh,Abhay Jere
    " Integrated Computational Solution for Predicting Skin Sensitization Potential of Molecules "
    PLOS ONE,(2016)
    DOI: 10.1371/journal.pone.0155419

  • Prasanth Kumar, Sivakumar T., Jasrai Yogesh, A. Pandya, Himanshu
    " Applications of Receptor- and Ligand-based Models in Inverse Docking Experiments: Recognition of Dihydrofolate Reductase Using 7,8-Dialkyl- 1,3-Diaminopyrrolo[3,2-f]Quinazolines "
    Current Computer - Aided Drug Design, 12(1),15-28,(2016)

  • Anna P. G. Nikalje*, a, Mangesh S. Ghodkeb, Firoz A. K. Khana and Jaiprakash N. Sangshettia
    " Microwave Assisted Facile Synthesis and Biological Evaluation of Novel 2-Indolyl -1, 5-Benzothiazepines "
    Open Pharmaceutical Sciences Journal,3,117-130,(2016)
    DOI: 10.2174/1874844901603010117

  • Mukesh C. Sharma, S. Sharma
    " Investigation on Quantitative Structure Activity Relationships of a Series of Inducible Nitric Oxide "
    Interdisciplinary Sciences: Computational Life Sciences,(2016)
    DOI: 10.1007/s12539-016-0176-5

  • Manisha Goyal, Jaspreet Kaur Dhanjal, Sukriti Goyal, Chetna Tyagi, Rabia Hamid and Abhinav Grover
    " Development of Dual Inhibitors against Alzheimer’s Disease Using Fragment-Based QSAR and Molecular Docking "
    BioMed Research International,(2016)
    DOI: 10.1155/2014/979606

  • Vinod L. Gaikwada,Neela M. Bhatiab,Sujit A. Desaib,Manish S. Bhatia
    " Quantitative structure property relationship modeling of excipient properties for prediction of formulation characteristics "
    Carbohydrate Polymers,(2016)
    DOI: 10.1016/j.carbpol.2016.05.114

  • Joohee Pradhan, Anju Goyal
    " Synthesis, anticonvulsant activity and QSAR studies of some new pyrazolyl pyridines "
    Medicinal Chemistry Research,(2016)
    DOI: 10.1007/s00044-016-1597-8

  • Firoz A. Kalam Khan, Rajendra H. Patil, Devanand B. Shinde, Jaiprakash N. Sangshetti
    " Bacterial Peptide deformylase inhibition of cyano substituted biaryl analogs: Synthesis, in vitro biological evaluation, molecular docking study and in silico ADME prediction "
    Bioorganic & Medicinal Chemistry,(2016)
    DOI: 10.1016/j.bmc.2016.05.051

  • Urja D. Nimbalkar, Santosh G. Tupe, Julio A. Seijas Vazquez, Firoz A. Kalam Khan, Jaiprakash N. Sangshetti and Anna Pratima G. Nikalje,
    " Ultrasound- and Molecular Sieves-Assisted Synthesis, Molecular Docking and Antifungal Evaluation of 5-(4-(Benzyloxy)-substituted phenyl)-3-((phenylamino)methyl)-1,3,4-oxadiazole-2(3H)-thione "
    Molecules, 21(5), 484,(2016)
    DOI: 10.3390/molecules21050484

  • SK. ABDUL AMIN, Nilanjan Adhikari, Tarun Jha, shovanlal gayen
    " Exploring structural requirements of unconventional Knoevenagel-type indole derivatives as anticancer agents through comparative QSAR modeling approaches "
    Canadian Journal of Chemistry,(2016)
    DOI: 10.1139/cjc-2016-0050

  • Mukesh C. Sharma, Smita Sharma , Shivangi Sharma
    " Computational study of diarylcyclopentene derivatives as selective prostaglandin EP1 receptor antagonist: QSAR approach "
    Network Modeling Analysis in Health Informatics and Bioinformatics,(2016)
    DOI: 10.1007/s13721-016-0120-y

  • Suvarna Katii, Preeti Bagul, Luketa Alai, Rasika Mahale, Ashok Pingle and Sanjay Wagh
    " Synthesis, Molecular docking and evaluation of antifungal activity of some benzyl benzimidazole derivative "
    Der Pharma Chemica, 8(4),425-433,(2016)

  • Uzma Paveen A. Shaikh, Yogesh N. Joshi
    " Molecular Docking Studies of E-Bola Virus Protein VP30 "
    International Journal of Scientific Research in Science and Technology ,2(10,93-98,(2016)

  • Sant K. Verma, Suresh Thareja
    " Formylchromone derivatives as novel and selective PTP-1B inhibitors: a drug design aspect using molecular docking-based self-organizing molecular field analysis "
    Medicinal Chemistry Research,(2016)
    DOI: 10.1007/s00044-016-1584-0

  • Vivek Asati, Sanjay K. Bharti
    " QSAR studies for some thiazolidine-2,4-dione derivatives as PIM-2 kinase inhibitors "
    Medicinal Chemistry Research,(2016)
    DOI: 10.1007/s00044-016-1577-z

  • Deweshri Kerzare,Rupesh Chikhale,Ratnadeep Bansode,Nikhil Amnerkar,Nazira Karodia, Anant Paradkar and Pramod Khedekar
    " Design, Synthesis, Pharmacological Evaluation and Molecular Docking Studies of Substituted Oxadiazolyl-2-Oxoindolinylidene Propane Hydrazide Derivatives "
    Journal of the Brazilian Chemical Society,(2016)

  • Satya P. Gupta, Harish Kumar, Basheerulla Shaik
    " Quantitative Structure-Activity Relationship Studies on Nitric Oxide Synthase Inhibitors "
    Current Enzyme Inhibition, 12(1),67-80,(2016)

  • Alivelu Samala
    " Therapeutic journey of synthetic betacarboline derivatives: A short review "
    Int. J. of Pharmacy and Analytical Research,5(1),161-168,(2016)

  • V. Ravichandran, K. Venkateskumar,S. Shalini,R. Harish
    " Exploring the structure–activity relationship of oxazolidinones as HIV-1 protease inhibitors – QSAR and pharmacophore modelling studies "
    Chemometrics and Intelligent Laboratory Systems,(2016)
    DOI: 10.1016/j.chemolab.2016.03.017

  • Pravin Ambure and Kunal Roy
    " Understanding the structural requirements of cyclic sulfone hydroxyethylamines as hBACE1 inhibitors against Aß plaques in Alzheimer's disease: a predictive QSAR approach "
    RSC Advances,(2016)
    DOI: 10.1039/C6RA04104C

  • Dnyaneshwar D. Subhedar,Mubarak H. Shaikh, Laxman Nawale, Amar Yeware,Dhiman Sarkar, Firoz A. Kalam Khan, Jaiprakash N. Sangshetti, Bapurao B. Shingate
    " Novel tetrazoloquinoline–rhodanine conjugates: Highly efficient synthesis and biological evaluation "
    Bioorganic & Medicinal Chemistry Letters,(2016)
    DOI: 10.1016/j.bmcl.2016.03.045

  • Sahaya Asirvatham,Bharat V. Dhokchawle, Savita J. Tauro
    " Quantitative Structure Activity Relationships studies of Non-steroidal Anti-inflammatory Drugs: A Review "
    Arabian Journal of Chemistry,(2016)
    DOI: 10.1016/j.arabjc.2016.03.002

  • Sant Kumar Verma and Suresh Thareja
    " Molecular docking assisted 3D-QSAR study of benzylidene-2, 4-thiazolidinedione derivatives as PTP-1B inhibitors for the management of Type-2 diabetes mellitus "
    RSC Advances,(2016)
    DOI: 10.1039/C6RA03067J

  • Koushik Bhandari, Rajeev K Singla, Baishakhi De, Bijoy Chandra Ghosh, Prakash Katakam, Dilip Kumar Khushwaha, Rohit Gundamaraju, Gargi Sen, Gargi Saha, Anirban Mitra, Analava Mitra
    " Chemometrics Based Extraction of Polyphenolics from Fresh Tea Leaves and Processed Tea Showing In- Silico Docking and Antioxidative Theronostic Dietary Adjuvant in Alzheimer "
    Indo Global Journal of Pharmaceutical Sciences, 5(3),171-191,(2016)

  • Mukesh C. Sharma
    " Computational design of novel renin inhibitors of indole-3-carboxamide derivatives through QSAR studies "
    Network Modeling Analysis in Health Informatics and Bioinformatics,(2016)
    DOI: 10.1007/s13721-016-0116-7

  • Ravi Jarapula, Kiran Gangarapu, Sarangapani Manda, Sriram Rekulapally
    " Synthesis, In Vivo Anti-Inflammatory Activity, and Molecular Docking Studies of New Isatin Derivatives "
    International Journal of Medicinal Chemistry,(2016)
    DOI: 10.1155/2016/2181027

  • Rani S. Kankate,Ashwini H. Pagare,Anwar R. Shaikh
    " SHOMOLOGY MODELLING AND DOCKING STUDIES FOR LANOSTEROL 14-ALPHA DEMETHYLASE OF CANDIDA ALBICANS AND 1,2,4-TRIAZOLE CLUBBED 1,3,4-OXADIAZOLE DERIVATIVES "
    IJCBS RESEARCH PAPER, 2(6),24-30,(2016)

  • Mubarak H. Shaikh,Dnyaneshwar D. Subhedar,Firoz A. Kalam Khan,Jaiprakash N. Sangshetti,Laxman Nawale,Manisha Arkile,Dhiman Sarkar,Bapurao B. Shingate,
    " Synthesis of Novel Triazole-incorporated Isatin Derivatives as Antifungal, Antitubercular, and Antioxidant Agents and Molecular Docking Study "
    Journal of Heterocyclic Chemistry,(2016)
    DOI: 10.1002/jhet.2598

  • Sanjay J. Ingle, K. K. Tapar
    " QSAR Study of Some 1,2-Benzisoxazole derivatives as Antipsychotic agents "
    Asian Journal of Pharmacy and Pharmacology, 1(2):57-61,(2016)

  • P. S. Manjula, B. K. Sarojini, B. Narayana, C. G. Darshan Raj
    " AN EXPLORATION ON THE SYNTHESIS AND BIO-APPLICATIONS OF DERIVATIVES OF HETEROCYCLIC MANNICH BASES "
    Journal of Funfamental and Applied Sciences,(2016)
    DOI: 10.4314/jfas.v8i1.9

  • Mukesh C. Sharma
    " Structural Requirements of Some 2-(1-Propylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide Derivatives as Poly (ADP-Ribose) Polymerase (PARP) for the Treatment of Cancer: QSAR Approach "
    Interdisciplinary Sciences: Computational Life Sciences,(2016)
    DOI: 10.1007/s12539-015-0015-0

  • Mukesh C. Sharma
    " A Structure–Activity Relationship Study of Imidazole-5-Carboxylic Acid Derivatives as Angiotensin II Receptor Antagonists Combining 2D and 3D QSAR Methods "
    Interdisciplinary Sciences: Computational Life Sciences,(2016)
    DOI: 10.1007/s12539-015-0014-1

  • P.S. Manjula, B. K. Sarojini, B. Narayana, C. G. Darshan Raj
    " AN EXPLORATION ON THE SYNTHESIS AND BIO-APPLICATIONS OF DERIVATIVES OF HETEROCYCLIC MANNICH BASES "
    Journal of Fundamental and Applied Sciences, 8(1), 115-175,(2016)

2015

Research publications

  • Zahid Zaheer, Firoz A. Kalam Khan, Jaiprakash N. Sangshetti, Rajendra H. Patil
    "Expeditious synthesis, antileishmanial and antioxidant activities of novel 3-substituted-4-hydroxycoumarin derivatives"
    Chinese Chemical Letters,(2015)
    DOI:10.1016/j.cclet.2015.10.028

  • Mubarak H. Shaikh, Dnyaneshwar D. Subhedar,Firoz A. Kalam Khan,Jaiprakash N. Sangshetti,Bapurao B. Shingate
    "1,2,3-Triazole incorporated coumarin derivatives as a potential antifungal and antioxidant agents"
    Chinese Chemical Letters,(2015)
    DOI:10.1016/j.cclet.2015.11.003

  • R. Balasaheb Aher, K. Roy
    "First report on exploring classification and regression based QSAR modelling of Plasmodium falciparum glycogen synthase kinase (PfGSK-3) inhibitors"
    SAR and QSAR in Environmental Research,(2015)
    DOI: 10.1080/1062936X.2015.1104518

  • Siddharth Sinha, Chetna Tyagi, Sukriti Goyal, Salma Jamal, Pallavi Somvanshi & Abhinav Grover
    "Fragment based G-QSAR and molecular dynamics based mechanistic simulations into hydroxamic-based HDAC inhibitors against spinocerebellar ataxia"
    Journal of Biomolecular Structure and Dynamics,(2015)
    DOI:10.1080/07391102.2015.1113386

  • Ravi Ranjan Kumar Niraj, Vandana Saini, Ajit Kumar
    "QSAR analyses of organophosphates for insecticidal activity and its in-silico validation using molecular docking study"
    Environmental Toxicology and Pharmacology, 40(3),886894,(2015)

More
  • Mukesh C. Sharma,
    "Structural features of substituted triazole-linked chalcone derivatives as antimalarial activities against D10 strains of Plasmodium falciparum: A QSAR approach"
    Journal of Central South University,22(10), 3738-3744,(2015)
    DOI: 10.1007/s11771-015-2917-8

  • Mukesh C Sharma,
    "Theoretical Studies of Substituted N-(1H-Benzimidazol-2ylmethyl)-5,6,7,8-Tetrahydro-8-Quinolinamines as CXCR4 Antagonists: QSAR Approach"
    Pharmaceutical Regulatory Affairs,(2015)
    DOI: http://dx.doi.org/10.4172/2167-7689.1000146

  • Mullani Ashish, Disouza J. I.,
    "Synthesis and QSAR study of N-Substituted [5-(1H-1, 2, 4-Triazol-5yl)pyridine-2-YL]methanimine Derivatives as potential Antibacterial"
    Asian Journal of Research in Chemistry, 8(9),561-565,(2015)
    DOI: 10.5958/0974-4150.2015.00089.9

  • Mukesh C. Sharma,
    "Predictive QSAR modeling of substituted Phenylpyrazinones as corticotropin-releasing factor-1 (CRF1) receptor antagonists: computational approach"
    Network Modeling Analysis in Health Informatics and Bioinformatics, (2015)
    DOI: 10.1007/s13721-015-0100-7

  • A.B. Gurung, B.J. Mylliemngap, A. Bhattacharjee, M.A. Ali and F.M.A. Al-Hemaid,
    "Interactome analysis and design of inhibitors against selected protein targets of Ser/Thr protein kinase (STPK) signaling pathways in Mycobacterium tuberculosis H37Rv"
    Genetics and Molecular Research 14 (3),10390-10403 (2015)
    DOI: http://dx.doi.org/10.4238/2015.September.1.6

  • Patil Sushil Dagadu, Vinayak Kardele, Balsubraniyan, Anwar Shaikh,
    "Docking Studies and Synthesis of Novel Flavones Screened for Biological Activities like Anticancer and Antioxidant Activity"
    Asian Journal of Research in Chemistry,8(6), 399-406,(2015)

  • Sivakumar Prasanth Kumar, Rakesh M. Rawal, Himanshu A. Pandya & Yogesh T. Jasrai,
    "Qualitative and quantitative pharmacophore-similarity assessment of anthranilamide-based factor Xa inhibitors: applications on similar molecules with identical biological endpoints"
    Journal of Receptors and Signal Transduction,(2015)
    DOI: 10.3109/10799893.2015.1075040

  • Digambar Kumbhar, Reshma Patil, Dayanand Patil, Ajinkya Patravale,Dattatray Chandam, Sunetra Jadhav, Dattatray Chavan, Prafulla Choudhari,Manish Bhatia, Madhukar Deshmukh,
    "Target Oriented Selective Synthesis of Antibacterial Active Tyrosinase Enzyme Inhibitor Coumarin Core Derivatives"
    Asian J. Research Chem., 511-520, 8(8),(2015)
    DOI: 10.5958/0974-4150.2015.00081.4

  • Anwar Rafique Shaikh, Steffi Ignatius Gonsalves, Amruta Nikam,Sanjay J. Kshirsagar and Yogita Thombare,
    "Predicting Pyrazinecarboxamides Derivatives as an Herbicidal Agent:3d Qsar by kNN-MFA and Multiple linear regression Approach"
    World Applied Sciences Journal, 33 (6),980-989,(2015)
    DOI: 10.5829/idosi.wasj.2015.33.06.193

  • Anuradha Sharma and Poonam Piplani,
    "Understanding the quantitative structure–activity relationship of acetylcholinesterase inhibitors for the treatment of Alzheimer's disease"
    Journal of Theoretical and Computational Chemistry,(2015)
    DOI: 10.1142/S0219633615500406

  • Rupesh Chikhalea,Sonali Thoratb, Amit Panta, Ankush Jadhavc, T. Krishnamacharid, Ratnadeep Bansodee, G. Bhargavid, Nazira Karodiae, M.V. Rajasekharand, Anant Paradkare, Pramod Khedekara,
    "Design, synthesis and pharmacological evaluation of pyrimidobenzothiazole-3-carboxylate derivatives as selective L-type calcium channel blockers"
    Bioorganic & Medicinal Chemistry,(2015)
    DOI: 10.1016/j.bmc.2015.09.009

  • Anwar R. Shaikh*, Amruta R. Nikam, Sanjay J. Kshirsagar, Mrs. Kankate R.S,Pardeshi Karansingh,
    "Design of novel pyrazolyl-thiazolinone derivatives as a potential EGFR and HER-2 kinase inhibitors by 2D and 3D QSAR using kNN MFA and molecular docking method"
    Journal of Current Pharma Research 5 (3), 1550-1564,(2015)

  • Anna Pratima G. Nikalje, Sameer I. Shaikh, Firoz A. Kalam Khan, Shoaib Shaikh, Jaiprakash N. Sangshetti,
    "Molecular sieves promoted, ultrasound-mediated synthesis, biological evaluation and docking study of 3-(5-substituted-1,3,4-thiadiazol-2-ylimino)indolin-2-ones as a potential anticonvulsant agents"
    Medicinal Chemistry Research, (2015)
    DOI: 10.1007/s00044-015-1458-x

  • P. Sagar Vijay Kumar, L. Suresh, G.V.P. Chandramouli,
    "Ionic liquid catalyzed multicomponent synthesis, antifungal activity, docking studies and in-silico ADMET properties of novel fused chromeno-pyrazolophthalazine derivatives"
    Journal of Saudi Chemical Society,(2015)
    DOI: http://dx.doi.org/10.1016/j.jscs.2015.08.001

  • Vivek Asati, Shalini Bajaj, Debarshi Kar Mahapatra, Sanjay Kumar Bharti,
    "Molecular modeling studies of some thiazolidine-2,4-dione derivatives as 15-PGDH inhibitors"
    Medicinal Chemistry Research, (2015)
    DOI: 10.1007/s00044-015-1442-5

  • Prasanna Datar,Tejashree Shendge,
    "Design, Synthesis and Stability Studies of Mutual Prodrugs of NSAID's"
    Chemical informatics,1(1),(2015)

  • Muthu K Kathiravan,Aparna S Chothe,Amol B Salake, Rajeshwar R Jalnapurkar,
    "DESIGN OF NEW CHEMICAL ENTITIES AS H1N1 NEURAMINIDASE INHIBITORS USING COMPUTER AIDED DRUG DESIGN APPROACH"
    Journal of International Pharmaceutical Sciences,2(1),62-72,(2015)

  • Nerkar Amit G., Sahu Megha, Valvi Shweta, Sawant Sanjay D.,
    "In silico Design, Synthesis and Pharmacological screening of Quinazolinones as NMDA receptor antagonists for Anticonvulsant activity: Part II"
    Journal of Young Pharmacists, 7(4), 303-310,(2015)

  • Mukesh C Sharma,
    "An Insight into Antimicrobial Activity Substituted Benzimidazol eDerivatives through QSAR Studies"
    Drug Designing,4: 122,(2015)
    DOI: 10.4172/2169-0138.1000123

  • Stephani Joy Y. Macalino, Vijayakumar Gosu, Sunhye Hong, Sun Choi,
    "Role of computer-aided drug design in modern drug discovery"
    Archives of Pharmacal Research,(2015)
    DOI: 10.1007/s12272-015-0640-5

  • Zahid Zaheera, Firoz A. Kalam Khan, Jaiprakash N. Sangshetti, Rajendra H. Patil,
    "EFFICIENT ONE-POT SYNTHESIS, MOLECULAR DOCKING AND IN SILICO ADME PREDICTION OF BIS-(4-HYDROXYCOUMARIN-3-YL) METHANE DERIVATIVES AS ANTILEISHMANIAL AGENTS"
    EXCLI Journal,14,935-947,(2015)

  • Priya B Rajput, Shraddha A Phadke and Priyanka V Bandiwadekar,
    "SYNTHESIS, CHARACTERIZATION AND ANTIFUNGAL ACTIVITY OF BENZIMIDAZOLE CONTAINING CHALCONE DERIVATIVES"
    INTERNATIONAL JOURNAL OF PHARMACEUTICAL, CHEMICAL AND BIOLOGICAL SCIENCES,5(3), 712-718, (2015)

  • Mahesh. B. Palkar and Chanabasayya. M. Vastrad,
    "PREDICTIVE COMPARATIVE QSAR ANALYSIS OF AS NITROTRIAZOLE- AND IMIDAZOLE-BASED AMIDES DERIVATIVES MYCOBACTERIUM TUBERCULOSIS H37RV INHIBITORS"
    World Journal of Pharmaceutical and Life Sciences,1(2),73-90, (2015)

  • Kawade, V. S., Kumbhar, S. S., Choudhari, P. B., Bhatia, M. S.,
    "3D QSAR and Pharmacophore Modelling of some Pyrimidine Analogs as CDK4 Inhibitors"
    Asian Journal of Research in Chemistry,8(4), 231-235,(2015)

  • A. S. Warokar, M. K. Kale, N. J. Duragkar, N. B. Charbe and M. H. Ghante,
    "Standardization of isolated flavonoid from Buchnania lanzan kernels and their in-vivo antiinflammatory effect with preliminary in-silico molecular docking studies"
    Journal of Quality Assurance and Pharma Analysis,1(1), 126-141,(2015)

  • Mukesh C. Sharma,
    "QSAR studies on 3-(4-biphenylmethyl) 4, 5-dihydro-4-oxo-3H-imidazo [4, 5-c] Pyridine derivatives as angiotensin II (AT1) receptor antagonist"
    Interdisciplinary Sciences: Computational Life Sciences,(2015)
    DOI: 10.1007/s12539-015-0005-2

  • Dr. Anwar Rafique Shaikh, Malik Amber,Imadulislam, Ziyaul Haque, Dr. Sanjay J.Kshirsagar, Kankate R. S, Yogita B. Thombare,
    "Predicting the Anti-Inflammatory Activity of Novel 5-Phenylsulfamoyl-2-(2-(Nitrooxy)(Acetoxy)Benzoic Acid Derivative using 2D and 3D-QSAR (kNN-MFA) Analysis"
    International Journal of Pharmacy & Pharmaceutical Research, 3(4),95-117,(2015)

  • Vinod L. Gaikwad, Manish S. Bhatia,Indrajeet Singhvi,
    "Experimental and chemoinformatics evaluation of some physicochemical properties of excipients influencing release kinetics of the acidic drug ibuprofen"
    Chemosphere,138, 494502, (2015)
    DOI: 10.1016/j.chemosphere.2015.07.007

  • Mukesh C. Sharma, S. Sharma, K.S. Bhadoriya
    "QSAR studies on pyrazole-4-carboxamide derivatives as Aurora A kinase inhibitors"
    Journal of Taibah University for Science, (2015)
    DOI: http://dx.doi.org/doi:10.1016/j.jtusci.2015.06.003

  • Mukesh C. Sharma,
    "A comparative QSAR analysis of substituted imidazolones derivatives as angiotensin II AT1 receptor antagonists"
    Network Modeling Analysis in Health Informatics and Bioinformatics,(2015)
    DOI: 10.1007/s13721-015-0088-z

  • Mukesh C. Sharma,
    "QSAR studies of novel1-(4-methoxyphenethyl)-1H-benzimidazole- 5-carboxylic acid derivatives and their precursors as antileukaemic agents"
    Journal of Taibah University for Science, (2015)
    DOI: http://dx.doi.org/doi:10.1016/j.jtusci.2015.05.007

  • Mukesh C. Sharma,
    "A Structure Activity Relationship Study of Naphthoquinone Derivatives as Antitubercular Agents Using Molecular Modeling Techniques"
    Interdisciplinary Sciences: Computational Life Sciences,(2015)
    DOI: 10.1007/s12539-015-0011-4

  • Vineeta Singh, Vandana Praveen, Divya Tripathi, Shafiul Haque, Pallavi Somvanshi, S.B.Katti & C.K.M.Tripathi,
    "solation, characterization and antifungal docking studies of wortmannin isolated from Penicillium radicum"
    Scientific Reports,5:11948,(2015)
    DOI: 10.1038/srep11948

  • Mukesh C Sharma,
    "2D QSAR Studies on a Series of Benzimidazole Type of Fluconazole Analogues as Antimicrobial Agents"
    Nanomedicine & Biotherapeutic Discovery, 5: 133, (2015)
    DOI: 10.4172/2155-983X.1000133

  • Sagar Alone, Sharda Deore, Bhushan Bawiskar,
    "2D QSAR study on Saponins of Pulsatilla koreana as an Anticancer agent"
    PharmaTutor, 3(6), 24-28,(2015)

  • Sweta Sharma, Swapna K Srivastava and Sanjay Mishra,
    "In silico Study on the Active Site Conformation and Structural Modulation of Glycerol-3-Phosphate Acyltransferase in Relevance to Medicinal Significance"
    International Journal of Multidisciplinary and Current Research, Vol.3 (July/Aug 2015 issue),713-718,(2015)

  • Sriram Rekulapally, Ravi Jarapula, Kiran Gangarapu, Sarangapani Manda, Jayathirtha Rao Vaidya,
    "In silico and in vitro studies of novel 7-azaindole and 7-azaisatin derivatives as potent anticancer agents"
    Medicinal Chemistry Research,(2015)
    DOI: 10.1007/s00044-015-1390-0

  • G. A. Kashid, J. Sarvanan, N. P. Jain,
    "QSAR STUDIES ON THIAZOLES HAVING ANTIPLATELET ACTIVITY"
    Innovational Journal of Chemistry, 1 ,10-21,(2015)

  • Mukesh C. Sharma,
    "QSAR Studies of 3, 4-dihydropyrimidin-2(1H)-one Urea Derivatives as Antibacterial and Antifungal activity"
    Jorunl of Health & Medical Informatics,(2015)
    DOI: 10.4172/2157-7420.1000191

  • Abubakar Danjuma Abdullahi, Abdualrahman Mohammed Abdualkader,Nadiahanis binti Abdulsamat and Kundan Ingale
    "Application of Group-Based QSAR and Molecular Docking in the Design of Insulin-Like Growth Factor Antagonists"
    Tropical Journal of Pharmaceutical Research, 14 (6),941-951,(2015)
    DOI: http://dx.doi.org/10.4314/tjpr.v14i6.2

  • Vinod L. Gaikwad, , Manish S. Bhatia, Indrajeet Singhvi,
    "Statistical Significance of Polymeric Physicochemical Properties in Development of Formulations Containing a Drug from Neutral Class"
    Arabian Journal of Chemistry,(2015)
    DOI: 10.1016/j.arabjc.2015.06.022

  • SUNIL L. HARER and MANISH S. BHATIA,
    "Design and One-Pot Synthesis of (1H, 3H) Imidazo[4,5-b] Pyridines: Novel Therapeutic Agents Against M. Tuberculosis"
    Chemical Science Transactions, (2015)
    DOI: 10.7598/cst2015.936

  • A. K. Mishra, Chetna Tyagi, Bharati Pandey, Ohika Chakraborty, Amrender Kumar, A. K. Jain,
    "Structural Insights into the Mode of Action of Plant Flavonoids as Anti-oxidants Using Regression Analysis"
    Proceedings of the National Academy of Sciences, India Section B: Biological Sciences,
    DOI: 10.1007/s40011-015-0557-2

  • Kale Mayura and Bidgar Amol,
    "Role of Computational Chemistry in Drug Design: An Overview"
    Asian Journal of Biochemical and Pharmaceutical Research,1(5),55-67 2015

  • Sanmati KJ, Achal M,
    "3D QSAR Analysis on Isatin Derivatives as Carboxyl Esterase Inhibitors Using K-Nearest Neighbor Molecular Field Analysis"
    Theoretical & Computational Science, (2015)
    DOI: http://dx.doi.org/10.4172/jtco.1000124

  • Chakshu Vats, Jaspreet Kaur Dhanjal, Sukriti Goyal, Navneeta Bharadvaja, Abhinav Grover,
    "Computational design of novel flavonoid analogues as potential AChE inhibitors: analysis using group-based QSAR, molecular docking and molecular dynamics simulations"
    Structural Chemistry,26(2),467-476,(2015)

  • Ambure Pravin, Roy Kunal,
    "Exploring Structural Requirements of Imaging Agents Against Aß Plaques in Alzheimer's Disease: A QSAR Approach"
    Combinatorial Chemistry & High Throughput Screening, 18(4), 411-419,(2015)

  • Sukriti Goyal, Salma Jamal, Asheesh Shanker and Abhinav Grover,
    "Structural investigations of T854A mutation in EGFR and identification of novel inhibitors using structure activity relationships"
    BMC Genomics,16(Suppl 5):S8, (2015)
    DOI: 10.1186/1471-2164-16-S5-S8

  • Mukesh C Sharma,
    "QSAR Analysis of 3- and 4-substituted 7-hydroxycoumarins as Novel 17ß-HSD3 Inhibitors"
    Chemotherapy, 4:148, (2015)
    DOI: 10.4172/2167-7700.1148

  • Sivakumar Prasanth Kumar, Prakash C. Jha, Yogesh T. Jasrai & Himanshu A. Pandya,
    "The effect of various atomic partial charge schemes to elucidate consensus activity-correlating molecular regions: a test case of diverse QSAR models"
    Journal of Biomolecular Structure and Dynamics, (2015)
    DOI: 10.1080/07391102.2015.1044474

  • N. P. Jain and C. D.Upasani,
    "Design, synthesis and microbiological evaluation of N-substituted-2-(3-oxo-3,4-dihydro-2H-benzo[b]1,4]thiazin-2-yl)propionamide as antifungal agent"
    Innovational Journal of Chemistry,1,1-9, (2015)

  • Mithilesh Kumar Dwivedi, Purushottam Das Soni, Shailja Sachan, Santosh Tiwari,
    "QSAR STUDIES, AND IN SILICO ADME PREDICTION OF P-AMINOSALICYLIC ACID DERIVATIVES AS NEURAMINIDASE INHIBITORS"
    Journal of Drug Delivery & Therapeutics., 5(3),80-86,(2015)

  • Ashwini M.Londhe and Anuruddha R Chabukswar,
    "MOLECULAR DOCKING ANALYSIS OF 3-SUBSTITUTED 5-HYDROXY COUMARIN DERIVATIVES AS VITAMIN K EPOXIDE REDUCTASE INHIBITOR"
    International Journal of Pharmaceutical Sciences and Research,6(5),1943-1949,(2015)

  • Mubarak H. Shaikh, Dnyaneshwar D. Subhedar, Laxman Nawale, Dhiman Sarkar, Firoz A. Kalam Khan, Jaiprakash N. Sangshetti and Bapurao B. Shingate,
    "1,2,3-Triazole derivatives as antitubercular agents: synthesis, biological evaluation and molecular docking study"
    Med. Chem. Commun.,(2015)
    DOI: 10.1039/C5MD00057B

  • Mukesh C Sharma,
    "Predictive Activity Modeling of 2-Substituent-1H-Benzimidazole-4-Carboxamide Derivatives against Enteroviruses using QSAR Approach"
    Jorunl of Health & Medical Informatics,(2015)
    DOI: http://dx.doi.org/10.4172/2157-7420.1000187

  • Mukesh C Sharma,
    "Molecular Modeling Studies of Some Substituted 2-Phenyl-benzimidazole Derivatives as Inhibitors of IgE Response"
    Alternative & Integrative Medicine,(2015)
    DOI: http://dx.doi.org/10.4172/2327-5162.1000191

  • Pagare Ashwini H, Kankate, Rani S, Shaikh Anwar R.,
    "2D and 3D QSAR using kNN-MFA method of the novel 3, 4-dihydropyrimidin-2(1H)-one urea derivatives of N-aryl urea as an antifungal agents"
    Journal of Current Pharma Research, 5(2), 1473-1481,(2015)

  • Rajeev Singla,
    "In Silico Drug Design and Medicinal Chemistry"
    Current Topics in Medicinal Chemistry, 15(11),971-972(2015)

  • Rajeev Singla,
    "Homology Modeling of MDR1 Gene MDR1_ENTHI of E. histolytica & its Molecular Docking with Anti-Entamoeba Histolytica Agents"
    Current Topics in Medicinal Chemistry, 15(11),980-989(2015)

  • Sushil Dagadu Patil, Ketki Eknath Shelar, Ziyul Haque Shakeel and Anwar Rafique Shaikh,
    "Predicting the drug abuse activity of some novel 4-alkoxycarbonyl-1,5-diaryl-1, 2, 3-triazoles on CB1 cannabinoid receptor using 2D and 3D-QSAR (kNN-MFA) analysis"
    Der Pharma Chemica, 7(4),270-277, (2015)

  • G. Dicky John Davis,A. Hannah Rachel Vasanthi,
    "QSAR based docking studies of marine algal anticancer compounds as inhibitors of protein kinase B (PKBß)"
    European Journal of Pharmaceutical Sciences, (2015)
    DOI: 10.1016/j.ejps.2015.04.026

  • Mamta Thakur, Abhilash Thakur, Sulekha Gotmare,
    "DOCKING STUDIES OF BENZODIAZEPINES AS A POSITIVE ALLOSTERIC MODULATOR OF GABA-A RECEPTOR"
    International Journal of Research and Development in Pharmacy and Life Sciences,4(3),1577-1581,(2015)

  • Poonam Piplani,Chhanda Charan Danta,
    "Design and synthesis of newer potential 4-(N-acetylamino)phenol derived piperazine derivatives as potential cognition enhancers"
    Bioorganic Chemistry,(2015)
    DOI: 10.1016/j.bioorg.2015.04.004

  • Kunal Roy, Supratik Kar, Rudra Narayan Das,
    "A Primer on QSAR/QSPR Modeling,Fundamental Concepts"
    Springer International Publishing, Print ISBN 978-3-319-17280-4,(2015)
    DOI: 10.1007/978-3-319-17281-1

  • Rupesh Chikhale,Sunil Menghani, Ramavath Babu, Ratnadeep Bansode, G. Bhargavi, Nazira Karodia, M.V. Rajasekharan, Anant Paradkar, Pramod Khedekar,
    "Development of selective DprE1 inhibitors: Design, synthesis, crystal structure and antitubercular activity of benzothiazolylpyrimidine-5-carboxamides"
    European Journal of Medicinal Chemistry,Volume 96,3046, (2015)
    DOI: 10.1016/j.ejmech.2015.04.011

  • Prasanna Datar,
    "QSAR and Synthesis of a Novel Biphenyl Carboxamide Analogue for Analgesic Activity"
    Modern Chemistry & Applications,3(1)
    DOI: 10.4172/2329-6798.1000148

  • Anna Pratima G Nikalje, Gaurav Gaikwad, Rajesh Nawale, Jaiprakash Sangshettiand Firoz A Khan,
    "Synthesis, Pharmacological Evaluation and Docking Study of Novel 3-Phenyl-5-Aryl-4, 5-Dihydro-1h-Pyrazole-1-Carbaldehydeas Anti-Inflammatory Agents"
    Research Journal of Pharmaceutical, Biological and Chemical Sciences, 6(2),423-431,(2015)

  • Firoz A. Kalam Khan, Jaiprakash N. Sangshetti,
    "DESIGN, SYNTHESIS AND MOLECULAR DOCKING STUDY OF HYBRID QUINOLINE-4-YL-OXADIAZOLES/OXATHIADIAZOLES AS POTENT ANTIFUNGAL AGENTS"
    International Journal of Pharmacy and Pharmaceutical Sciences, 7(4),223-229,(2015)

  • Saurabh Loharch, Isha Bhutani, Kamal Jain, Pawan Gupta,Debendra K. Sahoo, Raman Parkesh
    "EpiDBase: a manually curated database for small molecule modulators of epigenetic landscape"
    Database, (2015)
    DOI: 10.1093/database/bav013

  • Mubeen Muhammad, Kini Suvarna and Pai, KSR,
    "Design, synthesis, antioxidant and anticancer activity of novel pyrazole derivatives"
    Der Pharma Chemica, 7(2), 215-223, (2015)

  • Probir Kumar Ojha, Kunal Roy
    "The Current Status of Antimalarial Drug Research with Special Reference to Application of QSAR Models"
    Combinatorial Chemistry & High Throughput Screening,18(2),91-128,(2015)

  • Ardeshir Khazaeia,Negin Sarmastia,Jaber Yousefi Seyfa,Zahra Rostamib,Mohammad Ali Zolfigol,
    "QSAR study of the non-peptidic inhibitors of procollagen C-proteinase based on Multiple Linear Regression, Principle Component Regression, and Partial Least Square"
    Arabian Journal of Chemistry,(2015)
    DOI: 10.1016/j.arabjc.2015.02.016

  • Biradar S.M, Ganesh D.Mote, T.S.Chitre
    "QSAR and Molecular docking Studies of oxadiazole ligated Pyrrole derivatives as Enol ACP co Reductase Inhibitors"
    International Journal of Pharmaceutics and Drug Analysis,3(2),48-5,(2015)

  • Vishal Zambre, Nilesh N Petkar, Chinmay Patel and SANJAY DINKAR SAWANT
    "Structural investigations for NR2B subunit selective NMDA receptor antagonists by In-Silico modeling"
    RSC Advances,(2015)
    DOI: 10.1039/C5RA01098E

  • Nitin Dubey,Mukesh C. Sharma,Ashok Kumar,Pratibha Sharma
    "A click chemistry strategy to synthesize geraniol-coupled 1,4-disubstituted 1,2,3-triazoles and exploration of their microbicidal and antioxidant potential with molecular docking profile"
    Medicinal Chemistry Research,(2015)
    DOI: 10.1007/s00044-015-1329-5

  • Basavaraj M Dinnimath, Sunil S Jalalpure
    "In silico Antiurolithiatic Screening of Aerva lanata (L) Isolated constituents"
    Indian Journal of Pharmaceutical Education and Research,49(1), Jan-Mar (2015)

  • Sujit G. Bhansali and Vithal M. Kulkarni
    "Design, synthesis, docking, QSAR, ADME studies and pharmacological evaluation of biphenyl-2-oxadiazoles as anti-inflam matory agents"
    Der Pharma Chemica,2015, 7(1),156-173(2015)

  • Mukesh C. Sharma,Smita Sharma
    "Molecular modelling study of uracil-based hydroxamic acids -containing histone deacetylase inhibitors"
    Arabian Journal of Chemistry,(2015)
    DOI: 10.1016/j.arabjc.2014.12.030

  • Moustafa T. Gabr, Nadia S. El-Gohary, Eman R. El-Bendary, Mohamed M. El-Kerdawy
    "New series of benzothiazole and pyrimido[2,1-b]benzothiazole derivatives: synthesis, antitumor activity, EGFR tyrosine kinase inhibitory activity and molecular modeling studies"
    Medicinal Chemistry Research,24(2),860-878, (2015)
    DOI: 10.1007/s00044-014-1114-x

  • Dharmesh Sisodiya and Kamlesh Dashora
    "An approach to design antimicrobial agents by 2D QSAR studies on series of 5, 5-diphenylimidazolidine-2, 4-dione derivatives"
    International Journal of Pharmaceutical Chemistry,(2015)
    DOI: 10.7439/ijpc

  • Dharmesh Sisodiya and Kamlesh Dashora
    "Prediction of antibacterial and antifungal activity of 4 –benzylideneamino –benzene sulfonamides series by 2D QSAR studies"
    International Journal of Phytopharmacy,4 (6), 153-160, (2014)

  • Suresh Thareja,Tarun Rajpoot,Sant K. Verma
    "Generation of comparative pharmacophoric model for steroidal 5a-reductase I and II inhibitors: A 3D-QSAR study on 6-azasteroids"
    Steroids,(2015)
    DOI: 10.1016/j.steroids.2015.01.001

  • Juan C Garro Martinez, Esteban G Vega-Hissi, Matías F Andrada, and Mario R Estrada
    "QSAR and 3D-QSAR studies applied to compounds with anticonvulsant activity"
    Expert Opinion on Drug Discovery,10(1),37-51,(2015)
    DOI: 10.1517/17460441.2015.968123

2014

Research publications

  • Mukesh C. Sharma, Smita Sharma, K. S. Bhadoriya,
    "Molecular modeling studies on substituted aminopyrimidines derivatives as potential antimalarial compounds"
    Medicinal Chemistry Research, (2014)
    DOI: 10.1007/s00044-014-1199-2

  • Amit M Pant, Rupesh V Chikhale, Sunil S Menghani and Pramod B Khedekar,
    "LEDGF/p75 IN interaction inhibitors: in silico studies of an old target with novel approach",
    BMC Infectious Diseases , 14(Suppl 3):P18, (2014)
    DOI: 10.1186/1471-2334-14-S3-P18

  • UTTAM K. TRIPATHI, SANGHMITRA SINGH, JAINENDRA JAIN AND JAYA DWIVEDI,
    "3D QSAR STUDY OF PYRIMIDINES AS HIV ENTRY INHIBITORS",
    Chemistry and Pharmaceutical Sciences,1(6), 64-70, (2014)

  • Rajesh singh, Abhishek Jain, V. Ravichandran and R. K. Agrawal,
    "In Silico Design of Novel Quinolinone Derivatives as Anticancer Agents",
    International Journal of Drug Discovery & Herbal Research, 4(1), 709-716, (2014)

  • Moustafa T. Gabr, Nadia S. El-Gohary, Eman R. El-Bendary, Mohamed M. El-Kerdawy,
    "Synthesis and in vitro antitumor activity of new series of benzothiazole and pyrimido[2,1-b]benzothiazole derivatives",
    European Journal of Medicinal Chemistry, (2014)
    DOI: 10.1016/j.ejmech.2014.07.097

  • Mukesh C. Sharma,
    "Structural insights into mode of actions of novel substituted 4- and 6-azaindole-3-carboxamides analogs as renin inhibitors: molecular modeling studies",
    Medicinal Chemistry Research, (2014)
    DOI: 10.1007/s00044-014-1163-1

  • Sanmati Kumar Jain, Ravi Tripathi and Piyush Ghode,
    "CONVENTIONAL QSAR STUDIES OF THIAZOLIDINONE DERIVATIVES AS POTENTIAL EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS",
    WORLD JOURNAL OF PHARMACY AND PHARMACEUTICAL SCIENCES,3(8), 1811-1821, (2014)

  • Moustafa T. Gabr, Nadia S. El-Gohary, Eman R. El-Bendary, Mohamed M. El-Kerdawy,
    "New series of benzothiazole and pyrimido[2,1-b]benzothiazole derivatives: synthesis, antitumor activity, EGFR tyrosine kinase inhibitory activity and molecular modeling studies",
    Medicinal Chemistry Research, (2014)
    DOI: 10.1007/s00044-014-1114-x

  • P. Sudheer Kumar, Fitzerald Hujon and Ananda Kumar,
    "A Review on Computer-Aided Drug Design",
    International Journal of Chemistry and Pharmaceutical Sciences, 2(7),1007-1014, (2014)

  • V. K. Srivastav, M. Tiwari,
    "k-nearest neighbor molecular field analysis based 3D-QSAR and in silico ADME/T studies of cinnamoyl derivatives",
    Medicinal Chemistry Research, (2014)
    DOI: 10.1007/s00044-014-1183-x

More
  • Sridevi Duggirala, Rakesh P. Nankar, Selvakumar Rajendran, Mukesh Doble,
    "Phytochemicals as Inhibitors of Bacterial Cell Division Protein FtsZ: Coumarins Are Promising Candidates"
    Applied Biochemistry and Biotechnology, (2014)
    DOI: 10.1007/s12010-014-1056-2

  • Anna Pratima G. Nikalje1,Sameer I. Shaikh, Abhineet Mulay, Firoz A. K. Khan, Jaiprakash N. Sangshetti and Shoaib Shaikh,
    "Ultrasound-Assisted Synthesis, Anticonvulsant Activity, and Docking Study of Indole-Appended Thiazolidin-4-ones"
    Archiv der Pharmazie, (2014)
    DOI: 10.1002/ardp.201400148

  • Khatik Renuka, Mundada Anand B., Pathak A. K.,
    "3D-QSAR on a Novel Series of 2-Amino-6-Carboxamide Benzothiazole Derivatives as Potent Lck Inhibitors by K-Nearest Neighbor Molecular Field Analysis"
    Journal of Biomaterials and Tissue Engineering, 4(6), 471-478, (2014)
    DOI: http://dx.doi.org/10.1166/jbt.2014.1190

  • Ankur Vaidya, Abhishek Kumar Jain, B.R. Prashantha Kumar, G.N. Sastry, Sushil Kumar Kashaw, Ram Kishore Agrawal,
    "CoMFA, CoMSIA, kNN MFA and Docking studies of 1,2,4-Oxadiazole derivatives as potent Caspase-3 activators"
    Arabian Journal of Chemistry, (2014)
    DOI: 10.1016/j.arabjc.2014.05.034

  • Ankur Vaidya, Shweta Jain, Abkishek K. Jain, B. R. Prashanthakumar, Sushil K. Kashaw, Ram K. Agrawal,
    "Computational analysis of quinoline derivatives as potent topoisomerase-II inhibitors"
    Medicinal Chemistry Research, (2014)
    DOI: 10.1007/s00044-014-1131-9

  • Pravin Ambure,Kunal Roy,
    "Advances in quantitative structure–activity relationship models of anti-Alzheimer’s agents"
    Expert Opinion on Drug Discovery, 9(6),697-723, (2014)
    DOI: 10.1517/17460441.2014.909404

  • Thonthula Sreelatha, Subramani Kandhasamy, Raghu Dinesh, Suresh Shruthy, Sinha Shweta, Doble Mukesh, Devarajan Karunagaran, Ravichandran Balaji, Narayanasamy Mathivanan,Paramasivan Thirumalai Perumal,
    "Synthesis and SAR study of novel anticancer and antimicrobial naphthoquinone amide derivatives"
    Bioorganic & Medicinal Chemistry Letters,24(15), 3647–3651, (2014)
    DOI: 10.1016/j.bmcl.2014.04.080

  • Jagat Singh Chauhan, Sandeep Kumar Dhanda, Deepak Singla, Open Source Drug Discovery Consortium, Subhash M. Agarwal, Gajendra P. S. Raghava,
    "QSAR-Based Models for Designing Quinazoline/Imidazothiazoles/Pyrazolopyrimidines Based Inhibitors against Wild and Mutant EGFR"
    PLoS ONE, 9(7): e101079, (2014)
    DOI: 10.1371/journal.pone.0101079

  • Abubakar Danjuma Abdullahi, Abdualrahman Mohammed Abdualkader, Nadiahanis Abdullahi, Mohamed Farahidah, Abdul Razak Kasmuri, A. B. M. Helal Uddin,
    "Novel Insight into the Structural Requirements of P70S6K Inhibition Using Group-based Quantitative Structure Activity Relationship (GQSAR)."
    Journal of Applied Pharmaceutical Science, 4(06),016-024, (2014)
    DOI: 10.7324/JAPS.2014.40603

  • Harun M. Patel, Malleshappa N. Noolvi, Poonam Sharma, Varun Jaiswal, Sumit Bansal, Sandeep Lohan, Suthar Sharad Kumar, Vikrant Abbot, Saurabh Dhiman, Varun Bhardwaj,
    "Quantitative structure–activity relationship (QSAR) studies as strategic approach in drug discovery"
    Medicinal Chemistry Research, (2014)
    DOI: 10.1007/s00044-014-1072-3

  • Poonam Inamdar, Shashikant Bhandari, Bhagyashri Sonawane, Asha Hole, and Chintamani Jadhav,
    "Structure Optimization of Neuraminidase Inhibitors as Potential Anti-Influenza (H1N1Inhibitors) Agents Using QSAR and Molecular Docking Studies"
    Iranian Journal of Pharmaceutical Research, 13(1),49–65, (2014)

  • NADIA HANIS ABDUL SAMAT, ABDUALRAHMAN MOHAMMED ABDUALKADER, FARAHIDAH MOHAMED,ABUBAKAR DANJUMA ABDULLAHIE,
    "GROUP- BASED QUANTITATIVE STRUCTURAL ACTIVITY RELATIONSHIP ANALYSIS OF BCELL LYMPHOMA EXTRA LARGE (BCL-XL) INHIBITORS"
    International Journal of Pharmacy and Pharmaceutical Sciences,6(5),284-290, (2014)

  • SMITA PAWAR, SANJAY SAWANT, AMIT NERKAR, ASHOK BHOSALE,
    "IN SILICO DESIGN, SYNTHESIS AND PHARMACOLOGICAL SCREENING OF NOVEL 2-(6-SUBSTITUTED BENZO [D] THIAZOL-2-YL) ISOINDOLINE-1, 3-DIONES AS POTENTIAL COX-2 INHIBITORS FOR ANTI-INFLAMMATORY ACTIVITY"
    International Journal of Pharmacy and Pharmaceutical Sciences,6(5),352-357, (2014)

  • MEGHA SAHU AND AMIT G. NERKAR,
    "IN SILICO DESIGN, SYNTHESIS AND PHARMACOLOGICAL SCREENING OF SOME QUINAZOLINONE METAL COMPLEXES AS DIHYDROFOLATE REDUCTASE INHIBITORS FOR ANTICANCER ACTIVITY: PART-II"
    International Journal of Pharmacy and Pharmaceutical Sciences,6(5),509-514, (2014)

  • MEGHA SAHU AND AMIT G. NERKAR,
    "IN SILICO SCREENING, SYNTHESIS AND IN VITRO EVALUATION OF SOME QUINAZOLINONE DERIVATIVES AS DIHYDROFOLATE REDUCTASE INHIBITORS FOR ANTICANCER ACTIVITY: PART-I"
    International Journal of Pharmacy and Pharmaceutical Sciences,6(5),193-199, (2014)

  • Moustafa T. Gabr, Nadia S. El-Gohary, Eman R. El-Bendary, Mohamed M. El-Kerdawy,
    "EGFR TYROSINE KINASE TARGETED COMPOUNDS: IN VITRO ANTITUMOR ACTIVITY AND MOLECULAR MODELING STUDIES OF NEW BENZOTHIAZOLE AND PYRIMIDO[2,1-B]BENZOTHIAZOLE DERIVATIVES"
    EXCLI Journal,13,573-585, (2014)

  • Jayant Choudary, Suvarna G. Kini, Sreedhara Ranganath Pai Karkala, and Muhammad Mubeen,
    "Docking Studies and biological activity of Fosinopril Analogs"
    International Journal of Medicinal Chemistry, (2014)
    http://dx.doi.org/10.1155/2014/721834

  • Ogbaji Igoli John, Irvine Gray Alexander, Jean Clements Carol, Kantheti Poorna, Kumar Singla Rajeev,
    "Antitrypanosomal Activity & Docking Studies of Isolated Constituents from the Lichen Cetraria islandica: Possibly Multifunctional Scaffolds"
    Current Topics in Medicinal Chemistry, 14(8),1014-1021, (2014)

  • K. Singla, Rajeev, Varadaraj Bhat G., Gonzalez-Diaz Humberto,
    "Editorial (Thematic Issue: From Phytochemistry to Medicinal Chemistry: Isolation, Semisynthesis, Evaluation and Computational Studies)"
    Current Topics in Medicinal Chemistry,14(8), 979-980, (2014)

  • Sukriti Goyal, Sonam Grover, Jaspreet Kaur Dhanjal, Chetna Tyagi, Manisha Goyal, Abhinav Grover,
    "Group-based QSAR and molecular dynamics mechanistic analysis revealing the mode of action of novel piperidinone derived protein-protein inhibitors of p53–MDM2"
    Journal of Molecular Graphics and Modelling, (2014)
    DOI: http://dx.doi.org/10.1016/j.jmgm.2014.04.015

  • Gaurav Anand, Gautam Vertika,Singh Ranjit,
    "Quantitative Structure Activity Relationship and Design of Phenyl Alkyl Ketone Derivatives as Inhibitors of Phosphodiesterase 4"
    Current Enzyme Inhibition, 10(1), 69-80, (2014)

  • Vaijinath A.Verma, Bharathi Halu and V. R. Kulkarni,
    "UNDERSTANDING THE ANTIHYPERGLYCEMIC AGENTS OF THIAZOLIDINEDIONES ANALOGUES USING QUANTITATIVE STRUCTERE ACTIVITY RELATIONSHIP (QSAR) MODELS"
    WORLD JOURNAL OF PHARMACY AND PHARMACEUTICAL SCIENCES,3(3),2212-2221, (2014)

  • Sneha Manaswita, Amand Bhaskar, Raju Poddar, Kunal Mukhopadhyay,Manish Kumar,
    "IN SILICO STUDY TO EVALUATE THE MOLECULAR INTERACTIONS BETWEEN SOMATOSTATIN AND ITS RECEPTOR SSTR5"
    WORLD JOURNAL OF PHARMACY AND PHARMACEUTICAL SCIENCES,3(3), 1824-1837, (2014)

  • Maninder Minu and Deepti Singh,
    "QSAR modeling on Quinazolinonyl Pyrazolines and Quinazolinoyl Isoxazolines as Anticonvulsant Agents"
    Journal of Advanced Pharmacy Education & Research,4(1), 59-65, (2014)

  • Mukesh C. Sharma,
    "Structural requirements of N-aryl-oxazolidinone-5-carboxamide derivatives for anti-HIV protease activity using molecular modelling techniques"
    Journal of Taibah University for Science, 8(2), 111-123, (2014)
    DOI: 10.1016/j.jtusci.2013.10.001

  • Kumar, Pramod B and Kini, Suvarna G and Mubeen, Muhammad,
    "Synthesis, antimicrobial and docking studies of novel benzotriazole derivatives"
    International Journal of Pharma and Bio Sciences, 5 (2). 35-42, (2014) ISSN 0975-6299

  • Jaiprakash N. Sangshetti, Firoz A. Kalam Khan, Rashmi S. Chouthe, Manoj G. Damale, Devanand B. Shinde,
    "Synthesis, docking and ADMET prediction of novel 5-((5-substituted-1-H-1,2,4-triazol-3-yl) methyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine as antifungal agents"
    Chinese Chemical Letters, (2014)
    DOI: http://dx.doi.org/10.1016/j.cclet.2014.04.003

  • Sivakumar Prasanth Kumar, Yogesh T. Jasrai*, Vijay P. Mehta & Himanshu A. Pandya,
    "Development of pharmacophore similarity-based quantitative activity hypothesis and its applicability domain: applied on a diverse data-set of HIV-1 integrase inhibitors"
    Journal of Biomolecular Structure and Dynamics, (2014)
    DOI: 10.1080/07391102.2014.908142

  • Kant, Geeta; Dhar, Susmita; Rajasekaran, S.,
    "Exploring structure indenture for some 2, 3 di substituted Quinazolinones as anti tubercular drugs: A QSAR Approach."
    Journal of Computational Methods in Molecular Design, 4(1), 70-79, (2014)

  • Mylliemngap BJ, Borthakur A, Ingale K, Karanam S, Velmurugan D, Bhattacharjee A,
    "GQSAR approach to study the effect of various groups on substituted quinolines showing anti-tuberculosis activity."
    International Journal of Pharmaceutical Sciences and Research, 5(4),1345-51, (2014)
    DOI: 10.13040/IJPSR.0975-8232.5(4).1345-51

  • Manisha Goyal, Jaspreet Kaur Dhanjal, Sukriti Goyal, Chetna Tyagi, Rabia Hamid and Abhinav Grover,
    "Development of dual inhibitors against Alzheimer’s disease using fragment-based QSAR and molecular docking"
    BioMed Research International, (2014)

  • Ngozichukwuka P. Igoli, Carol J. Clements, Rajeev K Singla, John O. Igoli, U Nzekwe and Alexander I. Gray,
    "Antitrypanosomal Activity & Docking Studies Of Components Of Crateva Adansonii Dc Leaves: Novel Multifunctional Scaffolds"
    Current Topics in Medicinal Chemistry, (2014)
    DOI: 10.2174/1568026614666140324120006.

  • Shrivastava, Abha Ahirwar, Sarita Pathak, A. K.,
    "3D QSAR study of quinoline derivatives for potent antitubercular activity"
    Der Pharmacia Sinica, 5(1),45-52, (2014)

  • KSHIRSAGAR, SANDIP S., SHANMUGASUNDARAM, P.,
    "COMPUTER AIDED DESIGN OF 1, 2, 3, 4,-TETRAHYDROPYRIMIDINE DERIVATIVES CONTAINING CARBAMATES AND CARBAMIDES: AS SELECTIVE CALCIUM CHANNEL BLOCKERS."
    International Journal of Pharma & Bio Sciences, 5(1),401-411, (2014)

  • Sarita Ahirwar, Abha Shrivastava and A. K. Pathak,
    "2D QSAR study of novel quinoline derivatives as potent antitubercular agents"
    Journal of Computational Methods in Molecular Design,4 (1),6-13, (2014)

  • MAYURA KALE, GAJANAN SONWANE and RAJESH NAWALE,
    "G-QSAR of Novel 2-{[2-(1H-imidazol-1-yl)ethyl]sulfanyl}-1Hbenzimidazole Derivatives"
    Chemical Science Transactions,3(2), 0-00, (2014)
    DOI:10.7598/cst2014.739

  • Sivakumar Prasanth Kumar, Prakash C. Jha, Himanshu A. Pandya and Yogesh T. Jasrai,
    "Implementation of Pseudoreceptor-based Pharmacophore Queries in the Prediction of Probable Protein Targets: Explorations in Protein Structural Profile of Zea mays"
    Molecular BioSystems (2014)
    DOI: 10.1039/c0xx00000x

  • Mamta Arora, M.N. Noolvi, Harun Patel,
    "2D QSAR STUDIES ON THE DIFFERENTIAL INHIBITION OF ALDOSE REDUCTASE BY FLAVONIODS COMPOUNDS: A COMPARATIVE STUDY"
    Journal of Drug Delivery & Therapeutics,4(2), 39-42, (2014)

  • Kalyani D. Asgaonkar, Ganesh D. Mote, and Trupti S. Chitre,
    "QSAR and Molecular Docking Studies of Oxadiazole-Ligated Pyrrole Derivatives as Enoyl-ACP (CoA) Reductase Inhibitors"
    Scientia Pharmaceutica, 82(1),71–85, (2014)
    DOI: 10.3797/scipharm.1310-05

  • Moustafa T. Gabr, Nadia S. El-Gohary, Eman R. El-Bendary, and Mohamed M. El-Kerdawy,
    "Structure-based drug design and biological evaluation of 2-acetamidobenzothiazole derivative as EGFR kinase inhibitor"
    Journal of Enzyme Inhibition and Medicinal Chemistry, (2014)
    DOI: 10.3109/14756366.2014.887707

  • Supratik Kar & Kunal Roy,
    "Predictive toxicity modelling of benzodiazepine drugs using multiple in silico approaches: descriptor-based QSTR, group-based QSTR and 3D-toxicophore mapping"
    Molecular Simulation, (2014)
    DOI: 10.1080/08927022.2014.888718

  • Abdul Samad, Moawiah Naffaa, Mohammed Bakht, Manav Malhotra, Majid Ganaie,
    "Target Based Designing of Anthracenone Derivatives as Tubulin Polymerization Inhibiting Agents: 3D QSAR and Docking Approach"
    International Journal of Medicinal Chemistry, (2014)

  • Chanin Nantasenamat, Teerawat Monnor,Apilak Worachartcheewan, Prasit Mandi,Chartchalerm Isarankura-Na-Ayudhya, Virapong Prachayasittikul,
    "Predictive QSAR modeling of aldose reductase inhibitors using Monte Carlo feature selection"
    European Journal of Medicinal Chemistry, (2014)
    http://dx.doi.org/10.1016/j.ejmech.2014.02.043

  • Sivakumar Prasanth Kumar, Himanshu A. Pandya, Vishal H. Desai, Yogesh T. Jasrai,
    "Compound prioritization from inverse docking experiment using receptor-centric and ligand-centric methods: a case study on Plasmodium falciparum Fab enzymes"
    Journal of Molecular Recognition,27(4),215–229, (2014)
    DOI: 10.1002/jmr.2353

  • Swaraj Patil, Rajesh Sharma,
    "Prediction of 4-(5-trifluoromethyl-1h-pyrazol-1-yl)-Chloroquine analogues as Antimalarial activity"
    International Journal of PharmTech Research,6(1), 356-362, (2014)

  • Rajeev K. Singla,
    "Mechanistic Evidence to Support the Anti-hepatitis B Viral Activity of Multifunctional Scaffold & Conformationally Restricted Magnolol"
    National Academy Science Letters, (2014)
    DOI: 10.1007/s40009-013-0195-2

  • Jaiprakash N. Sangshettia,Rehan I. Shaikh, Firoz A. Kalam Khan, Rajendra H. Patil, Sayali D. Marathe, Wasudev N. Gade, Devanand B. Shinde,
    "Synthesis, antileishmanial activity and docking study of N’-substitutedbenzylidene-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetohydrazides"
    Bioorganic & Medicinal Chemistry Letters, (2014)
    DOI: http://dx.doi.org/10.1016/j.bmcl.2014.01.035

  • Jaspreet Kaur Dhanjal, Sonam Grover, Sudhanshu Sharma, Ajeet Kumar Singh, Abhinav Grover,
    "Structural insights into mode of actions of novel natural Mycobacterium protein tyrosine phosphatase B inhibitors,"
    BMC Genomics, 15(Suppl 1):S3 (2014)
    DOI: 10.1186/1471-2164-15-S1-S3

  • Sukriti Goyal,Jaspreet Kaur Dhanjal,Chetna Tyagi,Manisha Goyal,Abhinav Grover,
    "Novel fragment-based QSAR modelling and combinatorial design of pyrazole derived CRK3 inhibitors as potent anti-leishmanials"
    Chemical Biology and Drug Design, (2014)
    DOI: 10.1111/cbdd.12290

  • Ondrej Jandourek, Martin Dolezal, Pavla Paterova, Vladimir Kubicek, Matus Pesko, Jiri Kunes, Aidan Coffey, Jiahui Guo and Katarina Kralova,
    "N-Substituted 5-Amino-6-methylpyrazine-2,3-dicarbonitriles: Microwave-Assisted Synthesis and Biological Properties",
    Molecules,19, 651-671, (2014)
    DOI: 10.3390/molecules19010651

  • Anupama A. Parate,
    "3D QSAR studies of Substituted Benzamides as Nonacidic Antiinflammatory Agents by kNN MFA Approch",
    INTERNATIONAL JOURNAL OF ADVANCES IN PHARMACY,BIOLOGY AND CHEMISTRY,3(1), 7-12 , (2014)

  • Mishra, Nitish Kumar, Singla, Deepak, Agarwal, Sandhya, Raghava, Gajendra P. S.,
    "ToxiPred: A Server for Prediction of Aqueous Toxicity of Small Chemical Molecules in T. Pyriformis",
    Journal of Translational Toxicology,1(1),21-27, (2014)
    http://dx.doi.org/10.1166/jtt.2014.1005

  • Pravin Ambure and Kunal Roy,
    "Exploring structural requirements of leads for improving activity and selectivity against CDK5/p25 in Alzheimer's disease: an in silico approach",
    RSC Advances, (2014)
    DOI: 10.1039/C3RA46861E

 Up

 

2013

Research publications

  • Mukesh C. Sharmaa, Smita Sharma,
    "Prediction of Potent Therapeutic Targets of anticonvulsant ligands Substituted 4, 6-Dichloroindole-2-carboxylic acids as N-methyl-D-aspartate receptor: Molecular Modelling approach",
    Journal of Taibah University for Science, (2013)
    http://dx.doi.org/10.1016/j.jtusci.2013.12.001

  • Sujit Arun Desai, Santosh Sahedeo Kumbhar, Vishal Shankar Katti, Prafulla Balkrishna Choudhari, Manish Sudesh Bhatia,
    "3D QSAR and Pharmacophore Modelling on Chalcones as Antileishmanial Agents potential Trypanothione reductase Inhibitors",
    Journal of Applied Pharmaceutical Science,3(12),099-102, (2013)

  • Chetna Tyagi, Sonam Grover, Jaspreet Kaur Dhanjal, Sukriti Goyal, Manisha Goyal, Abhinav Grover,
    "Mechanistic insights into mode of actionof novel natural cathepsin L inhibitors",
    BMC Genomics,14(Suppl 8):S10, (2013)
    DOI:10.1186/1471-2164-14-S8-S10

  • Doreswamy and Chanabasayya .M. Vastrad,
    "PREDICTIVE COMPARATIVE QSAR ANALYSIS OF AS 5-NITROFURAN-2-YL DERIVATIVES MYCO BACTERIUM TUBERCULOSIS H37RV INHIBITORS",
    Health Informatics- An International Journal (HIIJ), 2(4), 47-62, (2013)
    DOI:10.5121/hiij.2013.2404

  • Sivakumar Prasanth Kumar, Yogesh T. Jasrai, Himanshu A. Pandya & Rakesh M. Rawal,
    "Pharmacophore-similarity-based QSAR (PS-QSAR) for group-specific biological activity predictions",
    Journal of Biomolecular Structure and Dynamics (2013)
    DOI:10.1080/07391102.2013.849618

  • Meenakshi Deodhar, PRIYANKA KHOPADE, and MAHESH VARAT,
    "Sulfonamide based β- Carbonic Anhydrase Inhibitors-2D QSAR study"
    ISRN Medicinal Chemistry,volume2013, 6, (2013)

  • Dinesh Rishipathak, Prabhakar Shirodkar,
    "Design and Molecular Docking Studies of Some 1,3,4-Oxadiazole Derivatives",
    International Journal of Pharmaceutical Sciences Review and Research,23(1),285-289, (2013)

  • Kalyani D. Asgaonkar, Ganesh D.Mote, T.S.Chitre,
    "QSAR and Molecular docking studies of oxadiazole ligated Pyrrole derivatives as Enoyl ACP co Reductase Inhibitors",
    Scientia Pharmaceutica, (2013)
    DOI:10.3797/scipharm.1310-05

  • Manoj P. Ramteke,Pradnya Shelke, Vidhya Ramamoorthy, Arun Kumar, Amit Kumar Singh Gautam, Padma P. Nanaware, Sudheer Karanam, Sami Mukhopadhyay,Prasanna Venkatraman,
    "Identification of a novel ATPase activity in 14-3-3 proteins – Evidence from enzyme kinetics, structure guided modeling and mutagenesis studies",
    FEBS Letters, (2013)
    DOI:10.1016/j.febslet.2013.11.008

More
  • Anupama Parate, Rajesh Sharma, Subhash Chandra Chaturvedi,
    "Comprehensive Structure Activity Relationship Studies for Angiotensin II Receptor Antagonists as Antihypertensive Agents",
    American Journal of Phytomedicine and Clinical Therapeutics,1(2),149-177, (2013)

  • Mukesh C. Sharma,
    "Molecular modeling studies of substituted 3,4-dihydroxychalcone derivatives as 5-lipoxygenase and cyclooxygenase inhibitors",
    Medicinal Chemistry Research, (2013)
    DOI:10.1007/s00044-013-0745-7

  • Prafulla Choudhari, Manish Bhatia, and Neela Bhatia,
    "N-Phenyl-3-Pyridin-2-yl Imino Derivatives as Vascular Smooth Muscle Relaxants: Potential Phosphodiesterase V Inhibitors",
    Bulletin of the Korean Chemical Society,34(9),2707-2710, (2013)
    DOI:10.5012/bkcs.2013.34.9.2707

  • P. ONKARA, A. SUNIL KUMAR, S. KANAKARAJU, B. PRASANNA, Y. PYDISETTY, G. V. P. CHANDRAMOULI,
    "MOLECULAR DOCKING STUDIES, SYNTHESIS AND ANTI-BACTERIAL PROPERTIES OF NEW MANNICH BASES.",
    International Journal of Pharma & Bio Sciences, 4(2),263-P-270, (2013)

  • Sumitra Nain, Garima Mathur and Anu Sharma,
    "2D-QSAR ANALYSIS OF PHTHALIMIDE DERIVATIVES AS POTENT HYPOGLYCEMIC AGENTS",
    International Journal of Pharmaceutical Sciences and Research,4(11),4470-4476, (2013)

  • Rajesh Nawale, Mayura Kale, Ratnamala Survase and Gajanan Sonawane,
    "3D QSAR Analysis of some (2-benzylcarbamoyl-phenoxy)-acetic acid derivatives for treatment of chronic diabetic complications",
    Der Pharma Chemica, 5(5),40-48, (2013)

  • Prafulla Balkrishna Choudhari, Onkar Sunil Pawar and Sachin Gadkari,
    "3D QSAR and Pharmacophore Identification of Heteroarylpiperazine-Substituted l-Prolylthiazolidines as Dipeptidyl Peptidase-4 Inhibitors",
    International Journal of Drug Design and Discovery, 4(3),1149-1152, (2013)

  • Sujit Desai, Sachin Gadkari, Prafulla Choudhari and Manish Bhatia,
    "3D QSAR, Pharmacophore Identification of 2-Methoxy Benzanilides and their Thioxo Analogues as Antimycobacterials",
    International Journal of Drug Design and Discovery, 4(3),1153-1157, (2013)

  • Ramesh L. Sawant, Ganesh D. Jadhav, Prashant D. Lanke, Jyoti B. Wadekar,
    "QSAR and Docking Study for Rate of Mushroom Tyrosinase Inhibition by Some 5-Benzylidene Barbiturate Derivatives",
    International Journal of Drug Design and Discovery, 4(2),1077-1082, (2013)

  • Mukesh C. Sharma,
    "Molecular modelling and pharmacophore approach substituted benzimidazole derivatives as dipeptidyl peptidase IV inhibitors",
    Journal of Saudi Chemical Society, (2013)
    DOI: 10.1016/j.jscs.2013.10.008

  • Mukesh C. Sharma,
    "Exploring structural requirement of N-aryl-oxazolidinone-5-carboxamides derivatives for anti-HIV protease activity using molecular modelling techniques",
    Journal of Taibah University for Science, (2013)
    DOI: 10.1016/j.jtusci.2013.10.001

  • Nilanjana Jain(Pancholi), Swagata Gupta, Neelima Sapre and Nitin S Sapre,
    "Design of Novel Leads: Ligand based Computational Modeling Studies on Non-Nucleoside Reverse Transcriptase Inhibitors (NNRTIs) of HIV-1 ",
    Molecular BioSystems, (2013)
    DOI:10.1039/C3MB70218A

  • Sachin A Pishawikar, Haranath N More,
    "Synthesis, Docking And In-Vitro Screening Of Mannich Bases Of Thiosemicarbazide For Anti-Fungal Activity",
    Arabian Journal of Chemistry, (2013)
    DOI:10.1016/j.arabjc.2013.10.016

  • Ankita Mehta, Surabhi Sonam, Isha Gouri, Saurabh Loharch, Deepak K. Sharma and Raman Parkesh,
    "SMMRNA: a database of small molecule modulators of RNA",
    Nucleic Acids Research, (2013)
    DOI:10.1093/nar/gkt976

  • Mukesh C. Sharma, Smita Sharma, Pratibha Sharma, Ashok Kumar, Kamlendra Singh Bhadoriya,
    "Comparative QSAR and pharmacophore analysis for a series of 2,4-dihydro-3H-1,2,4-triazol-3-ones derivatives as angiotensin II AT1 receptor antagonists",
    Medicinal Chemistry Research, (2013)
    DOI:10.1007/s00044-013-0831-x

  • Sunil Jawla and Yatendra Kumar,
    "Molecular Docking Interaction of Pinitol (Ligand) with Dipeptidyl Peptidase-4 Receptor (PDB 3C45)",
    World Applied Sciences Journal, 24(12),1629-1634, (2013)

  • Mukesh C. Sharma,Smita Sharma,Pratibha Sharma,Ashok Kumar,K.S. Bhadoriya,
    "Structural insights for substituted acyl sulfonamides and acyl sulfamides derivatives of imidazole as angiotensin II receptor antagonists using molecular modeling approach",
    Journal of the Taiwan Institute of Chemical Engineers, (2013)
    DOI: http://dx.doi.org/10.1016/j.jtice.2013.08.002

  • Mukesh C. Sharma,
    "Discovery of new lead pyrimidines derivatives as potential cannabinoid CB1 receptor antagonistic through molecular modeling and pharmacophore approach",
    Medicinal Chemistry Research, (2013)
    DOI:10.1007/s00044-013-0808-9

  • Manisha Goyal, Sonam Grover, Jaspreet Kaur Dhanjal, Sukriti Goyal, Chetna Tyagi, Abhinav Grover,
    "Molecular modelling studies on flavonoid derivatives as dual site inhibitors of human acetyl cholinesterase using 3D-QSAR, pharmacophore and high throughput screening approaches",
    Medicinal Chemistry Research, (2013)
    DOI:10.1007/s00044-013-0810-2

  • Yashwant D Vankar, Rima Lahiri, Suman Y Reddy,Sudhir A Kulkarni,
    "Synthesis of Unnatural Indolizidines, Pyrrolizidine and C-alkyl Iminosugars from Sugar Derived Hemiaminals",
    RSC Advances, (2013)
    DOI:10.1039/C3RA43510E

  • Ojha, Probir K. Roy, Kunal.
    "Exploration of Important Sites of Antimalarial Endochins for Optimum Structural Modification Using Group-Based QSAR (G-QSAR) Modeling",
    Current Computer - Aided Drug Design, 9(3),336-349, (2013)

  • Prasanna A. Datar, M. H. Washimkar,
    "2D QSAR of heteroaryl-substituted propanolamines as antihypertensive agents",
    Medicinal Chemistry Research, (2013)
    DOI:10.1007/s00044-013-0766-2

  • Sisir Nandi, Manish C. Bagchi,
    "QSAR modeling of 4-anilinofuro[2,3-b]quinolines: an approach to anticancer drug design",
    Medicinal Chemistry Research, (2013)
    DOI:10.1007/s00044-013-0759-1

  • SACHIN A PISHAWIKAR AND HARINATH N MORE,
    "SYNTHESIS OF MANNISH BASES OF THIOSEMICARBAZIDE AS DNA POLYMERASE INHIBITORS AND NOVEL ANTIBACTERIAL AGENTS",
    International Journal of Pharma and Bio Sciences,4(1),549-556, (2013)

  • Rajesh Sharma and Swaraj Patil,
    "Three dimensional quantitative structure analysis substituted 1,3-diaryl propenone derivatives as antimalarial activity",
    Der Pharma Chemica,5(4),80-86, (2013)

  • PRAFULLA B CHOUDHARI, MANISH S BHATIA,
    "DEVELOPMENT OF N-PHENYL-3-PYRIDIN-2-YL IMINO DERIVATIVES AS ANTICOAGULANTS POTENTIAL FACTOR VIIA INHIBITORS",
    Journal of the Chilean Chemical Society , 58(N2), 1667-1673, (2013)

  • Mukta Joshi, Shankar V Kundapura, Thirtha Poovaiah, Kundan Ingle, Pawan K Dhar,
    "Discovering Novel Anti-Malarial Peptides from the Not-coding Genome - A Working Hypothesis",
    Current Synthetic and Systems Biology, (2013)
    DOI:http://dx.doi.org/10.4172/cssb.1000103

  • Sharvari Kulkarni, Pallavi Patil, Bastikar Virupaksha, Gupte Alpana, Khadke Prashant and Shruti Baikerikar,
    "Molecular Dynamics, Docking and QSAR analysis of Napthoquinone derivatives as Topoisomerase I inhibitors ",
    International Journal of Computational Bioinformatics and In Silico Modeling,2(5),223-233, (2013)

  • Madhavi M Mutha, Rishikesh V Antre, Kamalkishore G Baheti, Poonam M More, Pradeep V Kore,
    "In silico design of Benzofuran analogs of Fenamates as potential nonsteroidal anti-inflammatory agents: Docking and QSAR Studies",
    Medicinal Chemistry & Drug Discovery,4(2), 61-80, (2013)

  • MAHAVEER PRASAD KABRA, SANJAY SINGH BHANDARI,
    "A REVIEW: DIFFERENT SOFTWARE USED IN PHARMACY",
    INTERNATIONAL JOURNAL OF PHARMACEUTICAL RESEARCH AND BIO-SCIENCE,2(4),393-410, (2013)

  • Tamanna Narsinghani, Mukesh C. Sharma, Sakshi Bhargav
    "Synthesis, docking studies and antioxidant activity of some chalcone and aurone derivatives",
    Medicinal Chemistry Research, (2013)
    DOI:10.1007/s00044-012-0413-3

  • Mitali Mishra, Vikash Kumar Mishra, Parul Senger, Anupam Kumar Pathak, Sushil K. Kashaw
    "Exploring QSAR studies on 4-substituted quinazoline derivatives as antimalarial compounds for the development of predictive models",
    Medicinal Chemistry Research, (2013)
    DOI:10.1007/s00044-013-0744-8

  • Madhavi Mutha, rishikesh Antre, Kamalkishor Baheti and Punam More,
    "Study of Structure Based Drug Design for 1,4 Dihydropyridine Derivatives as Cox-II Inhibitors",
    Jouranl of Biological Sciences, 13(6), 545-549, (2013)

  • Priyanka Jadhav,Bhushan Petkar,Yogesh Pore,Anita Kulkarni,Kishorkumar Burade,
    "Physicochemical and molecular modeling studies of cefixime–l-arginine–cyclodextrin ternary inclusion compounds",
    Carbohydrate Polymers,9(2),1317–1325, (2013)

  • Chourasiya Ravindra K., Rao A. Raghuram , Agrawal Ram Kishore,
    "Pharmacophore Modeling and QSAR Analysis of Novel β-carboline Derivatives as Antitumor Agents",
    Letters in Drug Design & Discovery, 10(7), 572-584, (2013)

  • Puratchikody Ayarivan, Natarajan Ramalakshmi, Doble Mukesh,Hema Iswarya Shanmugam, Vijayabharathi, Raj,
    "Synthesis, Leptospirocidal Activity and QSAR Analysis of Novel Quinoxaline Derivatives",
    Medicinal Chemistry,9(2),275-286, (2013)

  • Pallavi Somvanshi ,Suruchi Rai, Bhartendu Nath Mishra,
    "3D QSAR and protein–protein interaction studies on neuraminidase against Clostridium perfringens: An approach toward target identification using structurebased drug designing",
    Journal of Biomolecular Structure and Dynamics,31:sup1, 101-101, (2013)
    DOI:10.1080/07391102.2013.786397

  • Vijay H. Masand, Devidas T. Mahajan, Taibi Ben Hadda, Rahul D. Jawarkar, Hemant Chavan, B. P. Bandgar, Harsh Chauhan,
    "Molecular docking and quantitative structure–activity relationship (QSAR) analyses of indolylarylsulfones as HIV-1 non-nucleoside reverse transcriptase inhibitors",
    Medicinal Chemistry Research, (2013)
    DOI: 10.1007/s00044-013-0647-8

  • Shaikh Anwar, Thombare Shraddha,
    "2D AND 3D QSAR STUDIES ON 4-THIAZOLIDINONES CONTAINING INDOLIN-2-ONE MOIETY AS POTENTIAL ANTITUMOR AGENT",
    PHARMACIA,2(1),39-51, (2013)

  • Mukesh C. Sharma, Smita Sharma,Nitendra K. Sahu,D.V. Kohli,
    "3D QSAR kNN-MFA studies on 6-substituted benzimidazoles derivatives as Nonpeptide Angiotensin II Receptor Antagonists: A rational approach to antihypertensive agents",
    Journal of Saudi Chemical Society,17(2), 167–176, (2013)

  • Ajay B. Bedadurge, Anwar R. Shaikh,
    "2D and 3D QSAR using kNN-MFA method of N-[3-(4-benzylpiperidin-1-yl)propyl]-N,N’-diphenylureas as CCR5 antagonists as anti-HIV-1 agents",
    Journal of Computational Methods in Molecular Design, 3(2),1-9, (2013)

  • Anupama Parate, Rajesh Sharma and Isha Maheshwari,
    "Structural indents for 5-hydroxyaurone derivatives as potent anticancer agents against HUVEC cancer cell lines-kNN MFA approach",
    Der Pharmacia Sinica, 4(3),121-129, (2013)

  • Ravindra Kumar Chourasiya, A. Raghuram Rao, Ram Kishore Agrawal,
    "QSAR and docking studies of novel β-carboline derivatives as anticancer",
    Medicinal Chemistry Research, 22(6), 2991-3001, (2013)
    DOI:10.1007/s00044-012-0296-3

  • Vinod L. Gaikwad, Manish S. Bhatia and Indrajeet J. Singhvi,
    "Effect of polymeric properties on physical characteristics of fast disintegrating ibuprofen tablets: A statistical approach",
    Der Pharmacia Lettre, 5 (3),140-147, (2013)

  • Pranita P Kore*, Rishikesh V Antre, Poonam M More,
    "Molecular docking of Imidazole derivatives as Uracil-DNA glycosylases (UDGS) inhibitors",
    Medicinal Chemistry & Drug Discovery, 4(2), 81-98, (2013)

  • Priyadarshini Agarwal, Shaifali Dubey, Zoya Mirza, A.K.Pathak,
    "2D-QSAR study of phenothiazine derivatives as antitubercular agents",
    International Journal of PHARMACEUTICAL AND BIOMEDICAL RESEARCH,4(2), 114-119, (2013)

  • Mukesh C. Sharma, D. V. Kohli,
    "Comprehensive structure–activity relationship analysis of substituted 5-(biphenyl-4-ylmethyl) pyrazoles derivatives as AT1 selective angiotensin II receptor antagonists: 2D and kNNMFA QSAR approach",
    Medicinal Chemistry Research, (2013)
    DOI:10.1007/s00044-012-0206-8

  • Kamlendra Singh Bhadoriya,Mukesh C. Sharma, Shailesh V. Jain, Ganesh S. Raut, Jyotsna R. Rananaware,
    "Three-dimensional quantitative structure–activity relationship (3D-QSAR) analysis and molecular docking-based combined in silico rational approach to design potent and novel TRPV1 antagonists",
    Medicinal Chemistry Research, (2013)
    DOI:10.1007/s00044-012-0226-4

  • Mukesh C. Sharma, Smita Sharma, Pratibha Sharma, Ashok Kumar, Kamlendra Singh Bhadoriya,
    "QSAR and pharmacophore approach on substituted imidazole derivatives as angiotensin II receptor antagonists",
    Medicinal Chemistry Research, (2013)
    DOI:10.1007/s00044-013-0638-9

  • S. N. Thore, Sunil V. Gupta, Kamalkishor G. Baheti,
    "Docking, synthesis, and pharmacological investigation of novel substituted thiazole derivatives as non-carboxylic, anti-inflammatory, and analgesic agents",
    Medicinal Chemistry Research, (2013)
    DOI:10.1007/s00044-012-0382-6

  • Mukesh C. Sharma, Smita Sharma, Pratibha Sharma, Ashok Kumar,
    "Pharmacophore and QSAR modeling of some structurally diverse azaaurones derivatives as anti-malarial activity",
    Medicinal Chemistry Research, (2013)
    DOI:10.1007/s00044-013-0609-1

  • Sanjay D. Sawant, Atul A. Barvrkar, Anirudh R. Chabukswar, Swati D. Sarak,
    "Molecular docking and synthesis of 8-substituted 3, 4-dihydro-6-methyl-4-(2,4-dinitrophenyl)imidazo[1,5-b][1,2,4]triazin-2(8H)-one derivatives as novel antiasthmatic agents",
    Journal of Applicable Chemistry,2 (3),372-384, (2013)

  • Rajeev K Singla, Varadaraj Bhat G, TNV Ganesh Kumar,
    "3D-Quantitative Structure Activity Relationship: A Strategic Approach for In Silico Prediction of Anti-Candididal Action of 1,2,4-Triazole Derivatives",
    Indo Global Journal of Pharmaceutical Sciences, 3(1),52-57, (2013)

  • Raj Keshwar Prasad, Rajesh Sharma,
    "In Silico 2D-QSAR Analysis of 2-Aryl Pyridine Inhibitors of Mitogen-Activated Protein Kinase-2 as Anti-Rheumatoid Arthritis Agents",
    American Journal of Phytomedicine and Clinical Therapeutics, 1(1),1-10, (2013)

  • Ritesh Bhole, Prashant Patil, Pritam Agale, Sanjay Wate,
    "Design and synthesis of some new heterocyclic benzylidene hydrazide derivatives for their antileishmanial activity",
    Marmara Pharmaceutical Journal, 17,131-137, (2013)

  • Sandeep Tiwari, Baphilinia Jones Mylliemngap, Devadasan Velmurugan, Atanu Bhattacharjee,
    "Interactome analysis of devS protein involved in persistence of Mycobacterium tuberculosis and design of inhibitor against its interacting persister protein: An approach to inhibit protein –protein interaction",
    Indian Journal of Bioinformatics and Biotechnology, 2(3),57-64, (2013)

  • ONKARA.P, A.SUNIL KUMAR, S.KANAKARAJU, B.PRASANNA,Y.PYDISETTY AND G.V.P.CHANDRAMOULI,
    "MOLECULAR DOCKING STUDIES, SYNTHESIS AND ANTI-BACTERIAL PROPERTIES OF NEW MANNICH BASES",
    International Journal of Pharma and Bio Sciences,4(2),263 - 270, (2013)

  • Neelesh Maheshwari,Anju Goyal, Sourabh Jain,
    "2D-QSAR study of 1,4-benzodiazepine-2-ones as potent anti-trypanosomal agents",
    Medicinal Chemistry Research, (2013)
    DOI: 10.1007/s00044-013-0592-6

  • Indrani Mitra, Achintya Saha, Kunal Roy,
    "Predictive chemometric modeling of DPPH free radical-scavenging activity of azole derivatives using 2D- and 3D-quantitative structure–activity relationship tools",
    Future Medicinal Chemistry,5(3),261-280, (2013)
    DOI: 10.4155/fmc.12.207

  • Shashikant D. Metkar,Manish S. Bhatia, Uday V. Desai,
    "Synthesis and biological evaluation of novel azetidine derivatives as dopamine antagonist",
    Medicinal Chemistry Research, (2013)
    DOI: 10.1007/s00044-013-0579-3

  • Mukesh C. Sharma,Smita Sharma, Pratibha Sharma, Ashok Kumar,
    "Comparative QSAR and pharmacophore modeling of substituted 2-[2′-(dimethylamino) ethyl]-1, 2-dihydro-3H-dibenz[de,h]isoquinoline-1,3-diones derivatives as anti-tumor activity",
    Medicinal Chemistry Research, (2013)
    DOI: 10.1007/s00044-013-0554-z

  • Raghuraman Venkatapathy and Nina Ching Y. Wang,
    "Developmental Toxicity Prediction",
    Brad Reisfeld and Arthur N. Mayeno (eds.), Computational Toxicology: Volume II, Methods in Molecular Biology, vol. 930, (2013)
    DOI: 10.1007/978-1-62703-059-5_14, # Springer Science+Business Media, LLC 2013

  • M. V. Kirthana, F. Nawaz Khan, Ponnurengam Malliappan Sivakumar, Mukesh Doble, P. Manivel, K. Prabakaran, V. Krishnakumar
    "Antithyroid agents and QSAR studies: inhibition of lactoperoxidase-catalyzed iodination reaction by isochromene-1-thiones",
    Medicinal Chemistry Research, (2013)
    DOI: 10.1007/s00044-013-0475-x

  • Mukesh C. Sharma, Smita Sharma, Pratibha Sharma, Ashok Kumar,
    "Molecular modeling and pharmacophore approach for structural requirements of some 2-substituted-1-naphthols derivatives as potent 5-lipoxygenase inhibitors",
    Medicinal Chemistry Research, (2013)
    DOI: 10.1007/s00044-013-0499-2

  • Prafulla B. Choudhari, Manish S. Bhatia, and Swapnil D. Jadhav,
    "Pharmacophore Modelling, Quantitative Structure Activity Relationship (QSAR) and Docking Studies of Pyrimidine Analogs as Potential Calcium Channel Blockers",
    Journal of the Korean Chemical Society,57(1),99-103, (2013)
    http://dx.doi.org/10.5012/jkcs.2013.57.1.99

  • Nimisha Jain,Anand B. Mundada,Anupam K. Pathak,
    "QSAR studies of novel potent benzamide derivatives as glucokinase activators",
    Medicinal Chemistry Research, (2013)
    DOI: 10.1007/s00044-012-0435-x

  • Indrani Mitra, Achintya Saha, Kunal Roy,
    "Quantification of contributions of different molecular fragments for antioxidant activity of coumarin derivatives based on QSAR analyses",
    Canadian Journal of Chemistry, (2013)
    DOI: 10.1139/cjc-2012-0527

  • Kamlendra Singh Bhadoriya, Mukesh C. Sharma,Smita Sharma,Shailesh V. Jain, Mandar H. Avchar,
    "An approach to design potent anti-Alzheimer’s agents by 3D-QSAR studies on fused 5,6-bicyclic heterocycles as γ-secretase modulators using kNN-MFA methodology",
    Arabian Journal of Chemistry, (2013)
    DOI: http://dx.doi.org/10.1016/j.arabjc.2013.02.002

  • Mukesh C. Sharma,Smita Sharma,Pratibha Sharma,Ashok Kumar,
    "Study of Physicochemical Properties-Inducible Nitric Oxide Synthase relationship of Substituted Quinazolinamines analogs: Pharmacophore Identification and QSAR Studies",
    Arabian Journal of Chemistry, (2013)
    DOI: http://dx.doi.org/10.1016/j.arabjc.2013.01.018

  • A. SUNIL KUMAR, S. KANAKARAJU,B. PRASANNA and G. V. P. CHANDRAMOULI,
    "Synthesis, Molecular Docking Studies and Antibacterial Evaluation of Baylis-Hillman Adducts of Coumarin and Pyran Derivatives Using Ionic Liquid under Microwave Irradiation",
    Chemical Science Transactions, (2013)
    DOI: 10.7598/cst2013.415

  • Mukesh C. Sharma, Smita Sharma, Kamlendra Singh Bhadoriya,
    "QSAR and Pharmacophore modeling of some benzimidazole derivatives as Protein Kinase CK2 Inhibitors",
    Journal of Saudi Chemical Society, (2013)
    DOI: http://dx.doi.org/10.1016/j.jscs.2013.01.006

  • Ojha, Probir K., Roy, Kunal,
    "First Report on Exploring Structural Requirements of 1,2,3,4- Tetrahydroacridin-9(10H)-one Analogs as Antimalarials Using Multiple QSAR Approaches: Descriptor-Based QSAR, CoMFA-CoMSIA 3DQSAR, HQSAR and G-QSAR Approaches",
    Combinatorial Chemistry & High Throughput Screening, 16(1),7-21, (2013)

  • Ravichandran Veerasamy,Ooi Chia Chean, Dinesh Kumar Subramaniam, Ng Mei Ying, Shalini Sivadasan, Harish Rajak, Arun Rasheed,
    "Designing hypothesis of diaryl pyrimidine analogs as anti-HIV agent: QSAR approach",
    Medicinal Chemistry Research ,22(1),35-44, (2013)
    DOI:10.1007/s00044-012-0008-z

  • Neelakandan Vidhya Lakshmi,Ponnurengam Malliappan Sivakumar, Doraiswamy Muralidharan, Mukesh Doble and Paramasivan T. Perumal,
    "Expeditious synthesis, antibacterial activity evaluation and GQSAR studies of 3-bisoxindoles, 2-oxindolyl-2-hydroxyindan-1,3-diones and 2-oxindolyl-2-hydroxyacenaphthylen-1-ones",
    RSC Advances,3, 496-507, (2013)
    DOI:10.1039/C2RA01215D

 Up

 

2012

Research publications

  • Magda A.-A. El-Sayed, Naglaa I. Abdel-Aziz, Alaa A.-M. Abdel-Aziz, Adel S. El-Azab,Kamal E.H. ElTahir,
    "Synthesis, biological evaluation and molecular modeling study of pyrazole and pyrazoline derivatives as selective COX-2 inhibitors and anti-nflammatory agents. Part 2",
    Bioorganic & Medicinal Chemistry,20,3306–3316, (2012)
    http://dx.doi.org/10.1016/j.bmc.2012.03.044

  • Vivek K. Vyas, Manjunath Ghate,
    "2D and 3D QSAR study on amino nicotinic acid and isonicotinic acid derivatives as potential inhibitors of dihydroorotate dehydrogenase (DHODH)",
    Medicinal Chemistry Research,21(10),3021-3034, (2012)
    DOI:10.1007/s00044-011-9837-4

  • Radhika H. Datani, Suvarna G. Kini, Muhammad Mubeen,
    "Design, Synthesis and Vasorelaxant activity of 5-Nitro Benzimidazole Derivatives",
    Journal of Computational Methods in Molecular Design,2(4),149-157, (2012)

  • Ravindra Kumar Chourasiya,A. Raghuram Rao,Ram Kishore Agrawal,
    "QSAR and docking studies of novel β-carboline derivatives as nticancer",
    Medicinal Chemistry Research", (2012)
    DOI:10.1007/s00044-012-0296-3

  • Rishikesh V. Antre, Rajesh J. Oswal, Sandip S. Kshirsagar, Pranita P. Kore and Madhavi M. Mutha,
    "2D-QSAR Studies of Substituted Pyrazolone Derivatives as Anti-Inflammatory Agents",
    Medicinal chemistry,2(6),126-130, (2012)
    http://dx.doi.org/10.4172/2161-0444.1000127

  • Supratik Kar and Kunal Roy,
    "QSAR of phytochemicals for the design of better drugs",
    Expert Opinion on Drug Discovery,7(10),877-902, (2012)
    DOI:10.1517/17460441.2012.716420
  • Sanmati K. Jain and Sudip Nag,
    "3D QSAR Analysis on Arylbenzofuran derivatives as Histamine H3 Receptor Inhibitors using k Nearest Neighbor Molecular Field Analysis (KNNMFA)",
    International Journal of PharmTech Research,4(4),1691-1702, (2012)

  • Kore P V, Antre R V, Baheti K G, More P M, Mutha M M,
    "2D QSAR STUDIES OF SUBSTITUTED PYRAZOLE DERIVATIVES AS ANTIINFLAMMATORY AGENT",
    Inventi Rapid: Med Chem , Vol. 2013 , Article ID- " Inventi:pmc/234/12, (2012)
    http://www.inventi.in/Article/pmc/234/12.aspx

  • Poonam M More, Rishikesh V Antre, Tushar T Shelke, Madhavi M Mutha, Sahar M Badr, Hassan M Eisa and Pradeep V Kore,
    "Docking Studies of Benzimidazole Derivatives as Coenzyme-A Carboxylase (ACCase) Inhibitor",
    Open Access Scientific Reports, (2012)
    DOI:10.4172/scientificreports.439

  • Jagdeesh Ahirwar, A. B. Mundada and A. K. Pathak,
    "QSAR STUDIES & DESIGNING OF POTENT HETEROCYCLIC COMPOUNDS AS γ-SECRETASE INHIBITORS",
    International Journal of Pharmaceutical Sciences and Research,3(11), 4349-4362, (2012)

More
  • NITENDRA K. SAHU, MUKESH SHARMA, VISHNUKANTH MOURYA and D. V. KOHLI,
    "QSAR STUDY OF SOME SUBSTITUTED 4-QUINOLINYL AND 9-ACRIDINYL HYDRAZONES AS ANTIMALARIAL AGENTS",
    Acta Poloniae Pharmaceutica -Drug Research,69(6), 1153-1165, (2012)

  • Mukesh C. Sharma, Smita Sharma,, Kamlendra Singh Bhadoriya,
    "QSAR analyses and pharmacophore studies of tetrazole and sulfonamide analogs of imidazo[4,5-b]pyridine using simulated annealing based feature selection",
    Journal of Saudi Chemical Society, (2012)
    DOI: http://dx.doi.org/10.1016/j.jscs.2012.10.001

  • Prasanna A. Datar, Sainath B. Aher,
    "Design and synthesis of novel thiazolidine-2,4-diones as hypoglycemic agents",
    Journal of Saudi Chemical Society, (2012)
    DOI: http://dx.doi.org/10.1016/j.jscs.2012.10.010

  • Prasanna A. Datar *, Pratibha B. Auti,
    "Design and synthesis of novel 4-substituted 1,4-dihydropyridine derivatives as hypotensive agents",
    Journal of Saudi Chemical Society, (2012)
    DOI: http://dx.doi.org/10.1016/j.jscs.2012.08.003

  • Kamlendra Singh Bhadoriya,Narender K. Kumawat,Suvarna V. Bhavthankar,Mandar H. Avchar,Dinesh M. Dhumal,Savita D. Patil,Shailesh V. Jain,
    "Exploring 2D and 3D QSARs of Benzimidazole Derivatives as Transient Receptor Potential Melastatin 8 (TRPM8) Antagonists Using MLR and kNN-MFA Methodology",
    Journal of Saudi Chemical Society, (2012)
    DOI: http://dx.doi.org/10.1016/j.jscs.2012.11.001

  • Shailesh V. Jain,Kamlendra S. Bhadoriya,Sanjaykumar B. Bari,Nitendra K. Sahu,Manjunath Ghate,
    "Discovery of potent anticonvulsant ligands as dual NMDA and AMPA receptors antagonists by molecular modelling studies",
    Medicinal Chemistry Research,21(11),3465-3484, (2012)

  • Yogesh Singh, Jainendra Jain, Partha Chowdhury, Lalit Nainwa,
    "STUDY OF HALOGEN SUBSTITUENT ON DOCKING AND 3D QSAR PROPERTIES OF ARYL SUBSTITUTED THIOSEMICARBAZONES AS ANTICONVULSANT",
    International Journal of Therapeutic Applications, Volume 6,1-7, (2012)

  • Navin Raj, Sanmati K. Jain,
    "2D QSAR Study of Substituted 2-Phenyl-Benzimidazole Derivatives as Potent Anti Allergic Agents",
    International Journal of ChemTech Research,4(4),1350-1360, (2012)

  • Rishikesh V. Antre, Rajesh J. Oswal, Sandip S. Kshirsagar, Pranita P. Kore and Madhavi M. Mutha,
    "2D-QSAR Studies of Substituted Pyrazolone Derivatives as Anti-Inflammatory Agents",
    Medicinal chemistry, (2012)
    DOI: http://dx.doi.org/10.4172/2161-0444.1000127

  • Mukesh C. Sharma, Smita Sharma,Kamlendra Singh Bhadoriya,
    "QSAR analyses and pharmacophore studies of tetrazole and sulfonamide analogs of imidazo[4,5-b]pyridine using simulated annealing based feature selection",
    Journal of Saudi Chemical Society, (2012)
    DOI: http://dx.doi.org/10.1016/j.jscs.2012.10.001

  • Probir Kumar Ojha,Indrani Mitra, Supratik Kar,Rudra Narayan Das,Kunal Roy,
    "Lead Hopping for PfDHODH Inhibitors as Antimalarials Based on Pharmacophore Mapping, Molecular Docking and Comparative Binding Energy Analysis (COMBINE): A Three-Layered Virtual Screening Approach",
    Molecular Informatics,31(10),711–718, (2012)

  • Margaret S Sunitha, Anu G Nair, Amol Charya, Kamalakar Jadhav, Sami Mukhopadhyay and Ramanathan Sowdhamini,
    "Structural attributes for the recognition of weak and anomalous regions in coiled-coils of myosins and other motor proteins",
    BMC Research Notes 2012 5:530, (2012)
    DOI: 10.1186/1756-0500-5-530

  • Mukesh Chandra Sharma, D.V. Kohli, and Smita Sharma,
    "Molecular Modeling Studies of Substituted 2, 4, 5-Trisubstituted Triazolinones aryl and nonaryl derivatives as angiotensin II AT1 receptor antagonists",
    Journal of Chemistry, (2012)
    DOI: http://dx.doi.org/10.1155/2013/427181

  • Anand Gaurav,Vertika Gautam,Ranjit Singh,
    "Quantitative structure–activity relationship and design of polysubstituted quinoline derivatives as inhibitors of phosphodiesterase 4",
    Medicinal Chemistry Research, 21(10),3087-3103, (2012)
    DOI: 10.1007/s00044-011-9831-x

  • Kamlendra Singh Bhadoriya, Mukesh C. Sharma, Shailesh V. Jain, Sarika A. Kad, Dhiraj Raghuvanshi,
    "QSAR Studies of Fused 5, 6-Bicyclic Heterocycles as g-Secretase Modulators",
    Journal of Pharmacy Research,5(8),4127-4132, (2012)

  • V.P. Wadegaonkar and P.A. Wadegaonkar,
    "Withaferin A targets apoptosis inhibitor cIAP1:A potential anticancer candidate",
    Journal of Applied Pharmaceutical Science, 02(05),154-157, (2012)
    DOI: 10.7324/JAPS.2012.2527

  • M. B. Gunjegaonkar, S. A. Fegade, A. A. Kulkarni, R. K. Nanda,
    "Docking, synthesis, antimicrobial screening and beta lactamase inhibitory activity of 3-(4-fluorophenylimino) indolin-2-one and 5-chloro-3-(4-fluorophenylimino) indolin-2-one derivatives",
    IOSR Journal of Pharmacy,2(5),18-22, (2012)

  • Mukesh C. Sharma and D. V. Kohli,
    "Insight into the structural requirement of aryltriazolinone derivatives as angiotensin II AT1 receptor: 2D and 3D-QSAR k-Nearest Neighbor Molecular Field Analysis approach",
    Medicinal Chemistry Research,21(10), 2837-2853, (2012)
    DOI: 10.1007/s00044-011-9815-x

  • P. B. Choudhari, M. S. Bhatia and N. M. Bhatia,
    "Application of pocket modeling and k-nearest neighbor molecular field analysis (kNN-MFA) for designing of some anticoagulants: potential factor IXa inhibitors",
    Medicinal Chemistry Research, (2012)
    DOI: 10.1007/s00044-012-0091-1

  • Mukesh C. Sharma and D. V. Kohli,
    "Comprehensive two and three-dimensional QSAR studies of 3-substituted 6-butyl-1,2dihydropyridin-2-ones derivatives as angiotensin II receptor antagonists",
    Medicinal Chemistry Research, (2012)
    DOI: 10.1007/s00044-012-0110-2

  • Ravindra Kumar Chourasiya, Vishnukanth Mourya, Ram Kishore Agrawa,
    "QSAR analysis for some β-carboline derivatives as anti-tumor",
    Journal of Saudi Chemical Society, (2012)
    DOI: http://dx.doi.org/10.1016/j.jscs.2012.07.015

  • Monika Gupta,Anil Kumar Madan,
    "Diverse Models for the Prediction of HIV Integrase Inhibitory Activity of Substituted Quinolone Carboxylic Acids",
    Archiv der Pharmazie, (2012)
    DOI: 10.1002/ardp.201100316

  • Prabhakar S. Achanta, Rajasekhar Reddy Alavala, Umasankar Kulandaivelu, Shireesha Boyapati and Kundan Ingale,
    "2D-QSAR Studies of Tacrine Analogues for Acetylcholine Esterase (AChE) Inhibition using Multiple Linear Regression Analysis",
    Letters in Drug Design & Discovery,9(10), (2012)
    LDDD-EPUB-20120910-4

  • Bhoomendra A. Bhongade, Nikhil D. Amnerkar, Sirajunisa Talath, Kishore P. Bhusari and Andanappa K. Gadad,
    "3D-QSAR Studies on Isocoumarin-based Urokinase-type Plasminogen Activator (uPA) Inhibitors Employing Linear and Non-linear Regression Analysis Methods",
    Letters in Drug Design & Discovery,9(10), (2012)

  • Malleshappa N. Noolvi, Harun M. Patel, Manpreet Kaur,
    "Benzothiazoles: Search for anticancer agents",
    European Journal of Medicinal Chemistry, (2012)
    DOI: 10.1016/j.ejmech.2012.05.028

  • S T Thombare, S I Gonsalves, A R Shaikh,
    "QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP ANALYSIS OF 1-(4-SUBSTITUTED-PHENYL)-3-(4-OXO-2-PHENYL/ETHYL-4H-QUINAZOLIN-3-YL)-UREA AS POTENTIAL CNS DEPRESSANT AGENTS",
    Inventi Rapid: Med Chem , Vol. 2012 , Article ID- " Inventi:pmc/213/12, (2012)
    http://www.inventi.in/Article/pmc/213/12.aspx

  • Shraddha T. Thombare, Steffi I. Gonsalves and Anwar R. Shaikh,
    "2D and 3D QSAR using kNN-MFA method of pyrazolyl-thiazolinone derivatives as potential EGFR and HER-2 kinase inhibitors",
    Journal of Computational Methods in Molecular Design,2(3),107-121, (2012)

  • M.C. Sharma, Smita Sharma,
    "Prediction of Angiotensin II AT1 Receptor Antagonists Activity of 2-Alkylbenzimidazoles Bearing a N-Phenyl Pyrrole Moiety as Novel -A kNNMFA Approach",
    International Journal of Pure and Applied Chemistry,7(1), (2012)

  • Mukesh C. Sharma, Smita Sharma,D.V. Kohli,
    "Insight into the Structural Requirement D and L-N-[(1-Benzyl-1H-Imidazol-5-yl)-alkyl]-amino Acids as Angiotensin II AT1 Antagonists: 2D QSAR Approach",
    International Journal of Pure and Applied Chemistry,7(1), (2012)

  • Prasanna A. Datar and Pratibha B. Auti,
    "2DQSAR of Novel 4-Substituted 1, 4 Dihydropyridines -3, 5-Dicarboxylate as Potential Antihypertensive Agent",
    Journal of Computational Methods in Molecular Design,2 (3),85-91, (2012)

  • Sachin Gadkari, Prafulla Choudhari, Manish Bhatia,Sonali Khetmar and Swapnil Jadhav,
    "3D QSAR, PHARMACOPHORE INDENTIFICATION STUDIES ON SERIES OF IMIDAZOPYRIDINE ANALOGS AS NEMATICIDAL ACTIVITY",
    Pharmacophore,3(4), 199-208, (2012)

  • Prafulla Choudhari, Manish Bhatia,
    "3D QSAR, PHARMACOPHORE INDENTIFICATION STUDIES ON SERIES OF 4- SUBSTITUTED BENZOTHIOPHENE ANALOGS AS FACTOR IXA INHIBITORS",
    Pharmacophore,3(3), 189-198, (2012)

  • Ramesh L. Sawant, Supriya S Ramdin, Sumidha R Rathi,
    "3D QSAR analysis of quinolone based striazines as antimicrobial agent",
    International Journal of PharmTech Research,4(3), 1096-1100, (2012)

  • Ramesh L. Sawant,Charusheela A. Bansode,Jyoti B. Wadekar,
    "In vitro anti-inflammatory potential and QSAR analysis of oxazolo/thiazolo pyrimidine derivatives",
    Medicinal Chemistry Research, (2012)
    DOI: 10.1007/s00044-012-0189-5

  • Sanmati K. Jain, Lokesh Sahu, Rahul Jain and Arvind K. Yadav,
    "QSAR Analysis on 2-(4-(Piperidin-1-yl)piperidin-1-yl)-6-Substituted Thiazolo[4,5-B]Pyridines as H3 Receptor Antagonists",
    Der Pharma Chemica,4(3),1080-1088, (2012)

  • Prafulla B. Choudhari, Swapnil D. Jadhav, Rakesh P. Dhavale, Manish S. Bhatia, Suhel S. Shaha, Kundan B.Ingale and Neela M. Bhatia,
    "Development of Pyrimidine Derivatives as Selective Cox-2 Inhibitors",
    American-Eurasian Journal of Scientific Research,7(2),69-76, (2012)
    DOI: 10.5829/idosi.aejsr.2012.7.2.56189

  • Mukesh C. Sharma, D.V. Kohli,
    "Comprehensive structure–activity relationship analysis of isoxazolinyl and isoxazolidinyl substituted quinazolinone derivatives as angiotensin II receptor antagonists",
    Journal of Saudi Chemical Society, (2012)
    http://dx.doi.org/10.1016/j.jscs.2012.04.012

  • Mukesh C. Sharma,
    "Structural Insight for (6-oxo-3-pyridazinyl)-benzimidazoles derivatives as angiotensin II receptor antagonists: QSAR, Pharmacophore identification and kNNMFA approach",
    Journal of Saudi Chemical Society, (2012)
    http://dx.doi.org/10.1016/j.jscs.2012.07.004

  • Deepak K Landge, Trupti S Chitre, Kalyani D Asgaonkar*, Sonali R Deshmane,
    "2D AND 3D QSAR STUDY OF 5[ ARYL/CYCLOHEXYLSULFANYL]2ALKOXY4, 6DIARYLNICOTINONITRILES AS ANTITUBERCULAR AGENTS",
    Inventi Rapid: Med Chem , Vol. 2012 , Article ID- " Inventi:pmc/207/12, (2012)
    http://www.inventi.in/Article/pmc/207/12.aspx

  • Sisir Nandi and Manish C. Bagchi,
    "Importance of Kier-Hall Topological Indices in the QSAR of Anticancer Drug Design",
    Current Computer-Aided Drug Design,8(2),159-170, (2012)

  • Subhash Ajmani, Sudhir A. Kulkarni,
    "Application of GQSAR for Scaffold Hopping and Lead Optimization in Multitarget Inhibitors",
    Molecular Informatics, (2012)
    DOI:10.1002/minf.201100160

  • Sahoo Biswa Mohan,Dinda S.C.,Ravi Kumar B.V.V.,Panda J.R.,
    "Computational Approaches for Drug Design and Discovery Process",
    Current Pharma Research,2(3),600-611, (2012)

  • Sajaykumar B Bari, Kamlendra S Bhadoriya, Shailesh V Jain,
    "2D QSAR and Docking Studies of L-Chicoric Acid Analogues as HIV-1 Integrase Inhibitors",
    Inventi Rapid: Molecular Modeling , Vol. 2012 , Article ID- " Inventi:pmm/48/12 ", (2012)

  • Archana Ahirwar, A. K. Pathak, Anand B. Mundada,
    "QSAR STUDIES OF SUBSTITUTED PHENYL SULPHONAMIDE DERIVATIVES AS g-SECRETASE INHIBITOR",
    Pharmacia, 1(3), 118-124, (2012)

  • Shailesh Jain ,Manjunath Ghate, Kamlendra Bhadoriya,Sanjaykumar Bari, Amar Chaudhari,Jayshri Borse,
    "2D, 3D-QSAR and docking studies of 1,2,3-thiadiazole thioacetanilides analogues as potent HIV-1 non-nucleoside reverse transcriptase inhibitors",
    Organic and Medicinal Chemistry Letters,2:22, (2012)
    DOI:10.1186/2191-2858-2-22
  • Ramesh L. Sawant, Prashant D. Lanke, and Jyoti B. Wadekar,
    "Tyrosinase Inhibitory Activity, 3D QSAR and Molecular Docking Study of 2, 5-Disubstituted-1, 3, 4-Oxadiazoles",
    Journal of Chemistry, (2012)
    DOI- 10.1155/2013/849782

  • Mukesh C. Sharma, D.V. Kohli,
    "A comprehensive structure–activity analysis of 5-Carboxyl Imidazolyl Biphenyl Sulfonylureas derivatives angiotensin AT1 receptor antagonists: 2D- and 3D-QSAR approach",
    Arabian Journal of Chemistry, (2012)
    DOI:0.1016/j.arabjc.2012.04.020

  • C.D.Patil, A.B.Thomas, S.P. Bedis, R.K.Nanda,
    "SYNTHESIS, DOCKING STUDIES AND BIOLOGICAL EVALUATION OF 4-THIAZOLIDINONE ANALOGUES OF 2-AMINO-5-CHLOROPYRIDINE",
    International Journal of Pharmascholars,1(1),1-8, (2012)

  • Akanksha Gupta,
    "Insilico Detection of Efficacy of Quercetin and Genistein Analogues in Inhibiting the Human Tweak-FN14 Pathway Leading to Radiation Pathologies",
    Research Journal of Pharmaceutical, Biological and Chemical Sciences,3(2),703-715, (2012)

  • Ramesh Sawant, Charusheela Bansode,Jyoti Wadekar,
    "Synthesis and QSAR Analysis of Oxazolo/thiazolo Pyrimidine Derivatives as Potential Antibacterial Agents",
    Latin American Journal of Pharmacy,31(2), 181-189, (2012)

  • Parul Mehta, A. K. Pathak,
    "Two Dimensional QSAR Study of Some Novel 2-Azetidinone Series for Their Antibacterial Activity against Bacillus subtilis",
    International Journal of PharmTech Research,4(2),676-688, (2012)

  • Atanu Bhattacharjee, Baphilinia Jones Mylliemngap, Devadasan Velmurugan,
    "3D-QSAR studies on fluroquinolones derivatives as inhibitors for tuberculosis",
    Bioinformation,8(8),381-387, (2012)

  • Mukesh C. Sharma and D. V. Kohli,
    "A comprehensive structure–activity analysis 2,3,5-trisubstituted 4,5-dihydro-4-oxo-3H-imidazo [4,5-c] pyidine derivatives as angiotensin II receptor antagonists: using 2D- and 3D-QSAR approach",
    Medicinal Chemistry Research, (2012)
    DOI: 10.1007/s00044-012-0040-z

  • S. Samanta, S. P. Gupta, N. Masand, N.K. Basu and V.M. Patil,
    "Docking Directed kNN MFA Study of Pyrimidine Nucleosides as HCV NS5B Inhibitors",
    International Journal of Drug Design and Discovery,3(2),809-813, (2012)

  • J.A.S. Mulla, M.B. Palkar, V.S. Maddi and I.A.M. Khazi,
    "2D-QSAR Study of Thienopyrimidine Derivatives: An Approach to Design Effective Anti-bacterial Agents",
    International Journal of Drug Design and Discovery,3(2),784-797, (2012)

  • Kundan Indle, Manish Bhatia,
    "Identification of Structural Features for 4-Methyl-3-(6-[Phenyl Methylene] Amino} Pyridine-3-yl)-2h Chromen-2-One Derivatives as Clotting Factor XA Inhibitors",
    Medicinal Chemistry,8(2),299-307, (2012)

  • Ponnurengam Malliappan Sivakumar, Naga Vignesh Selvaraj, G. Ramesh, J. Mohanapriya,Veluchamy Prabhawathi and Mukesh Doble,
    "Computational Approaches to Improve Aggrecanase-1 Inhibitory Activity of (4-keto) phenoxy) methyl biphenyl-4-sulfonamide: Group Based QSAR and Docking Studies",
    Medicinal Chemistry, (2012)

  • Kharb Manju, Jat R. K., Parjapati Gunjan and Gupta Anju,
    "REVIEW ON INTRODUCTION TO MOLECULAR DOCKING SOFTWARE TECHNIQUE IN MEDICINAL CHEMISTRY",
    International Journal of Drug Research and Technology,2(2),189-197, (2012)

  • Ritesh P. Bhole, Deepak D. Borkar, Kishore P. Bhusari and Prashant A. Pati,
    "Design and Synthesis of P-hydroxybenohydrazide Derivatives for their Antimycobacterial Activity",
    Journal of the Korean Chemical Society,56(2),236-246, (2012)
    http://dx.doi.org/10.5012/jkcs.2012.56.2.236

  • Neelesh maheshwari, H. P. Singh, M. S. Ranawat and P. Trivedi,
    "2D-QSAR of 4’-(6, 7-disubstituted-2, 4-dihydro-indeno [1, 2-c] pyrazol-3-yl)-biphenyl-4-ol as potent Chk1 inhibitors",
    International Journal of Advanced Research in Pharmaceutical and Bio Sciences,1(2),130-144, (2012)

  • S.SADISH KUMAR AND JAYENDRA,
    "CYTOTOXITY OF MARINE ALGAL STEROIDS IN HELA CELLS – 2D & 3D QSAR APPROACH",
    International Journal of Pharma and Bio Sciences,3(2),204-212, (2012)

  • KAMLENDRA S. BHADORIYA, SHAILESH V. JAIN, SANJAYKUMAR B. BARI,MANISH L. CHAVHAN, AND KULDEEP R. VISPUTE,
    "3D-QSAR Study of Indol-2-yl Ethanones Derivatives as Novel Indoleamine 2,3-Dioxygenase (IDO) Inhibitors",
    E-Journal of Chemistry,9(4), 1753-1759, (2012)

  • Steffi I. Gonsalves and A. R. Shaikh,
    "2D QSAR Analysis of 3’, 4’, 5’- Trimethoxychalcone analogues as inhibitors of nitric oxide production and tumor cell proliferation",
    Journal of Computational Methods in Molecular Design,2(1),24-38, (2012)

  • Suvarna G. Kini, Shivani Choudhary, Muhammad Mubeen,
    "Synthesis, docking study and anticancer activity of coumarin substituted derivatives of benzothiazole",
    Journal of Computational Methods in Molecular Design,2(1),51-60, (2012)

  • P. B. Choudhari, R. P Dhavale, S. D. Jadhav, D. V. Mahuli, M. S. Bhatia,
    "Design, synthesis and evaluation of 1, 2, 4-triazole derivatives as antifungal",
    Current Pharma Research,2(2),511-515, (2012)

  • S. P. Gupta, S. Samanta, Neeraj Masand and Vaishali M. Patil,
    "k nearest neighbor-molecular field analysis on human HCV NS5B polymerase inhibitors: 2,5-disubstituted imidazo[4,5-c]pyridines",
    Medicinal Chemistry Research, (2012)
    DOI: 10.1007/s00044-012-0033-y

  • Vinayak D. More, Prafulla B. Choudhari*, Rakesh P. Dhavale, Swapnil D. Jadhav,Manish S. Bhatia,
    "3D QSAR Study on Alpha Keto Amide Derivatives as gp120-CD4 Inhibitors",
    International Journal of Pharmaceutical and Drug Research, 4(1),19-24, (2012)

  • Jagdeesh Ahirwar, A. B. Mundada, A. K. Pathak,
    "2D QSAR studies on heterocyclic compounds as gama-Secretase inhibitors",
    Journal of Pharmacy Research, 5(1),51-57, (2012)

  • A. K. Pathak, Abha Shrivastava,
    "2D and 3D QSAR studies of novel Quinazoline derivatives for their potent antimalarial activity",
    Journal of Pharmacy Research, 5(1),16-19, (2012)

  • Renuka Singh Khatik, A. K. Pathak, Anand B. Mundada,
    "Qsar studies of 2, 6-disubstituted benzothiazoles derivatives as potent lck inhibitor",
    Journal of Pharmacy Research, 5(1), 589-592, (2012)

  • Prafulla Choudhari, , Manish Bhatia,
    "3d Qsar, Pharmacophore Indentification Studies On Series of 1-(2-Ethoxyethyl)-1h-Pyrazolo [4,3-D] Pyrimidines as Phosphodiesterase V Inhibitors",
    Journal of Saudi Chemical Society, (2012)
    http://dx.doi.org/10.1016/j.jscs.2012.02.008

  • Rajashree. A. Patil, Prafulla. B. Choudhari*, Manish. S. Bhatia, Rakesh P Dhavale & Swapnil D. Jadhav,
    "3D Qsar Study On Pyrazole Derivatives Containing Thiourea As Egfr Inhibitors",
    Asian Journal of Biochemical and Pharmaceutical Research, 1(2),352-366, (2012)

  • P. A. Datar, S. B. Aher, M. H. Washimkar and P. B. Auti,
    "2DQSAR of novel 1,4-dihydropyridine derivative blocking n-type - calcium channels",
    Journal of Chemical and Pharmaceutical Research,4(2),1117-1122, (2012)

  • Mulla Jameel Ahmed S, Palkar Mahesh B, Maddi Veeresh S, Khazi Imtiyaz Ahmed M,
    "Rational design of antibacterial thienopyrimidines by 2D-QSAR study",
    Journal of Drug Delivery & Therapeutics,2(2),55-66, (2012)

  • NS Lodhi, AK Pathak,
    "3D QSAR Study of Novel Melatoninergic Bioesters for Their Melatonin Receptor (MT1) Agonist Activity",
    International Journal of Chemical and Analytical Science,3(2), 1313-1315, (2012)

  • Prafulla B. Choudhari, Manish S. Bhatia, Swapnil D. Jadhav,
    "Pharmacophore Identification and QSAR Studies on Substituted Benzoxazinone as Anti-Platelet Agents: kNN-MFA Approach",
    Scientia Pharmaceutica,(2012)
    DOI:10.3797/scipharm.1112-09

  • Deepak Gurbani,Vandna Kukshal, Julian Laubenthal, Ashutosh Kumar, Alok Pandey, Sarita Tripathi, Ashish Arora, Swatantra K. Jain, Ravishankar Ramachandran, Diana Anderson and Alok Dhawan,
    "Mechanism of inhibition of the ATPase domain of human topoisomerase IIα by 1,4-benzoquinone, 1,2-naphthoquinone, 1,4-naphthoquinone, and 9,10-phenanthroquinone",
    Toxicological Sciences, (2012)
    DOI: 10.1093/toxsci/kfr345.

  • Joshi Prashant,Tanwar Omprakash,Rambhade Sujit,Bhaisare Mukesh,Jain Deepti,
    "2-D QSAR studies of steroidal natural products oleanic acid and their semisynthetic derivatives as potent protein tyrosine phosphatase 1B inhibitors",
    Medicinal chemistry research, 21(3),351-361,(2012)

  • Abhinav Prasoon Mishra,
    "2D-QSAR study of 2, 5-dihydropyrazolo [4, 3-c] quinoline-3-one a novel series of PDE-4 inhibitors",
    International Journal of Research in Pharmaceutical and Biomedical Sciences,3(1),105-109, (2012)

  • Pritam N. Dube, Arun Kashid, Pranali Alkutkar, Prasanna Datar and Prashant Gawade,
    "2D QSAR of novel 2, N6-disubstituted 1,2-dihydro-1,3,5-triazine-4,6-diamines as potential antimalarials",
    Journal of Chemical and Pharmaceutical Research,4(1),465-473, (2012)

  • Nitendra K. Sahu, Sanjaykumar B. Bari, D. V. Kohli,
    "QSAR Studies of Some Substituted 1,3-Diaryl Propenone Derivatives as Plasmodium falciparum Growth Inhibitors",
    Letters in Drug Design & Discovery,9(2),153-162, (2012)

  • Mehta Parul D, A. K. Pathak,
    "TWO DIMENSIONAL QSAR STUDY OF SOME NOVEL 2-AZETIDINONE SERIES FOR THEIR ANTIBACTERIAL ACTIVITY AGAINST STAPHYLOCOCCUS AUREUS.",
    Inventi Rapid: Med Chem , Vol. 2012 , Article ID- " Inventi:pmc/146/12 " (2012)

  • Mukesh C. Sharma,D.V. Kohli,
    "Quantitative structure–activity analysis studies on triazolinone aryl and nonaryl substituents as angiotensin II receptor antagonists",
    Journal of Saudi Chemical Society, (2012)
    http://dx.doi.org/10.1016/j.jscs.2011.12.023

 
 
 
2011

Research publications

  • Anupama Parate and S. C. Chaturvedi,
    "Predicting 3H-1,2,4-triazolinones as angiotensin II receptor antagonists: 2D and 3D QSAR by kNN-molecular field analysis approach",
    Medicinal Chemistry Research, (2011)
    DOI:10.1007/s00044-011-9622-4

  • Kuldeep Singh Patel, Piyush Trivedi,
    "QSAR Analysis of Meta-substituted Phenyl propanoic acids as Peroxisome Proliferator- Activated Receptor Gamma Agonists as Antidiabetic agents",
    International Journal of PharmTech Research,3(4),1992-1995, (2011)

  • Alaa A.-M. Abdel-Aziz,Yousif A. Asiri, Mohamed H.M. Al-Agamy,
    "Design, synthesis and antibacterial activity of fluoroquinolones containing bulky arenesulfonyl fragment: 2D-QSAR and docking study",
    European Journal of Medicinal Chemistry,46(11),5487-5497, (2011)

  • Nitendra K. Sahu, Sanjaykumar B. Bari and D. V. Kohli,
    "Molecular modeling studies of some substituted chalcone derivatives as cysteine protease inhibitors",
    Medicinal Chemistry Research, (2011)
    DOI:10.1007/s00044-011-9900-1

  • Ashutosh Pandey, Omprakash Tanwar, Girdhar Deora, Chandrabose Karthikeyan, N. Hari Narayana Moorthy, Piyush Trivedi,
    "Modeling VEGFR kinase inhibition of aminopyrazolopyridine urea derivatives using topological and physicochemical descriptors: a quantitative structure activity analysis study",
    Medicinal Chemistry Research, (2011)
    DOI:10.1007/s00044-011-9926-4

  • Patil Swaraj, Prajapati Amit, Ansari Khusbu, Khodre Suraj,Choudhary Shrikant,
    "3D QSAR Analysis on Triazepane Derivatives as DPP-IV Inhibitors",
    International Journal of Research in Pharmacy and Science,1(3), 170-179, (2011)

  • NAVIN RAJ, SANMATI K. JAIN,
    "3D QSAR studies in conjunction with k-Nearest neighbor molecular field analysis (k-NN-MFA) on a series of substituted 2-phenyl-benzimidazole derivatives as an anti allergic agents",
    Digest Journal of Nanomaterials and Biostructures,6(4),1811-1821, (2011)

  • Ruchi Bhatiya, Ankur Vaidya, Sushil K. Kashaw, Abhishek K. Jain, Ram K Agrawal,
    "QSAR analysis of furanone derivatives as potential COX-2 inhibitors: kNN MFA approach",
    Journal of Saudi Chemical Society, (2011)
    http://dx.doi.org/10.1016/j.bbr.2011.03.031

  • Bachwani Mukesh, Kumar Rakesh,
    "Molecular Docking: A Review",
    International Journal of Research in Ayurveda and Pharmacy,2(6),1746-1751, (2011)

  • Ayarivan Puratchikody, Ramalakshmi Natarajan, Mohanapriya Jayapal, Mukesh Doble,
    "Synthesis, In Vitro Antitubercular Activity and 3D-QSAR of Novel Quinoxaline Derivatives",
    Chemical Biology & Drug Design,78,988–998, (2011)
    DOI:10.1111/j.1747-0285.2011.01246.x

More
  • Solanki N. I., Savjani J. K., Dakhara Sanjay L., Sanghani G. G.,
    "QSAR STUDY OF SOME NEW 1-TOLYL-3-ARYL-4-METHYLIMIDAZOLE-2-THIONES AS ANTIFUNGAL AGENTS",
    Inventi Impact: Med Chem, (2011)

  • Vijay K. Rakholiya, Trupti. S. Chitre*, Rohan V. Bamane,
    "2D AND 3D QSAR STUDIES OF PHTHALAZINE DERIVATIVES AS ALPHA-1D ANTAGONISTS",
    Inventi Impact: Med Chem, (2011)

  • Mukesh C. Sharma, D.V. Kohli,
    "Two dimensional and k-nearest neighbor molecular field analysis approach on substituted Triazolone derivatives: An insight into the structural requirement for the angiotensin II receptor antagonist",
    Journal of Saudi Chemical Society, (2011)
    http://dx.doi.org/10.1016/j.jscs.2011.10.008,

  • Mahesh B. Palkar, Malleshappa N. Noolvi, Harun M. Patel,Veeresh S. Maddi,V.G. Nargund,
    "2D-QSAR Study of Fluoroquinolone Derivatives:An Approach to Design Anti-tubercular Agents",
    International Journal of Drug Design and Discovery,2(3),559-574, (2011)

  • S. Dubey, N. K. Abbas, G. Goutham and P. A. Bhosle,
    "QSAR studies on quinolonyl diketo acid derivatives",
    NSHM Journal of Pharmacy and Healthcare Management,02,66-73, (2011)

  • A. P. Khadke , A. M. Patil , B. B. Jain,
    "2D-QSAR Study of Novel Oxazoline Benzyl Ester Derivatives as Anti-Tuberculosis Agents",
    International Journal of Pharmacy and Biological Sciences,1(4),501-509, (2011)

  • S Jignasa, G Anuradha,
    "1-TOLYL-3-ARYL-4-METHYLIMIDAZOLE-2-THIONES AS ANTIMICROBIAL AGENTS: A QSAR STUDY",
    Inventi Impact: Med Chem, (2011)

  • Sanmati K. Jain, Arvind K. Yadav, Pragya Nayak,
    "2D QSAR ANALYSIS ON OXADIAZOLE DERIVATIVES AS ANTICANCER AGENTS",
    International Journal of Current Pharmaceutical Research,3(4),27-33, (2011)

  • Ravichandran Veerasamy, Dinesh Kumar Subramaniam, Ooi Chia Chean and ,Ng Mei Ying,
    "Designing hypothesis of substituted benzoxazinones as HIV-1 reverse transcriptase inhibitors: QSAR approach",
    Journal of Enzyme Inhibition and Medicinal Chemistry, (2011)
    DOI: 10.3109/14756366.2011.608664

  • Vivek Kumar Vyas,Manjunath Ghate,Hitesh Katariya,
    "2D and 3D-QSAR study on 4-anilinoquinozaline derivatives as potent apoptosis inducer and efficacious anticancer agent",
    Organic and Medicinal Chemistry Letters, (2011)
    DOI: 10.1186/2191-2858-1-13

  • Abha Shrivastava, A. B. Mundada, A. K. Pathak,
    "2D QSAR STUDY OF QUINAZOLINE DERIVATIVES AS POTENT ANTIMALARIAL AGENTS",
    Pharmacia,1(2),52-62, (2011)

  • Sanmati K. Jain, Arvind K. Yadav, Pragya Nayak,
    "3D QSAR Analysis on Oxadiazole Derivatives as Anticancer Agents",
    International Journal of Pharmaceutical Sciences and Drug Research,3(3),230-235, (2011)

  • N.S. HariNarayana Moorthy,Maria J. Ramos, Pedro A. Fernandes,
    "Structural Analysis of α-glucosidase Inhibitors by Validated QSAR Models using Topological and Hydrophobicity Based Descriptors",
    Chemometrics and Intelligent Laboratory Systems, (2011)
    DOI:10.1016/j.chemolab.2011.02.010

  • Sanmati K. Jain, Sarika Vishwakarma and Pragya Nayak,
    "2D QSAR Analysis on 5β-Methylprolyl-2-Cyanopyrrolidine Derivatives as DPP IV Inhibitors",
    Der Pharma Chemica,3(4),158-170, (2011)

  • N. A. Khistia, S.V. Gandhi,
    "PHARMACOPHORE OPTIMIZATION OF SELECTIVE P38 MAP KINASE INHIBITORS AS POTENTIAL ANTI-INFLAMMATORY AGENTS USING MOLECULAR MODELING STUDIES",
    International Journal Of Pharmacy& Technology, 3(2),2323-2342, (2011)

  • Mukesh C. Sharma, and D.V. Kohli,
    "QSAR analysis and 3D QSAR kNN-MFA approach on a series of substituted quinolines derivatives as angiotensin II receptor antagonists",
    Arabian Journal of Chemistry, (2011)
    DOI:10.1016/j.arabjc.2011.07.008

  • Mukesh Chandra Sharma, Dharm Veer Kohli,
    "3D QSAR Studies of Some Substituted Imidazolinones Derivatives Angiotensin II Receptor Antagoists",
    World Applied Sciences Journal, 12(11),2129-2134, (2011)

  • Mukesh Chandra Sharma and Dharm Veer Kohli,
    "3D QSAR kNNMFA Approch studies on Series of Substituted Piperidin-2-One Biphenyl Tetrazoles as Angiotensin II Receptor Antagonist",
    American-Eurasian Journal of Toxicological Sciences,3(2),75-84, (2011)

  • Sanmati K. Jain and Priyanka Sinha,
    "Three Dimensional Quantitative Structure Activity Relationship (QSAR) Analysis on Arylbenzofuran Derivatives as Histamine H3 Antagonists using k-Nearest Neighbor Molecular Field Analysis",
    Der Pharmacia Lettre,3(3),69-81, (2011)

  • Dhritiman Jana, Amit Kumar Halder, Nilanjan Adhikari, Milan Kumar Maiti, Chanchal Mondal and Tarun Jha,
    "Chemometric modeling and pharmacophore mapping in coronary heart disease: 2-arylbenzoxazoles as cholesteryl ester transfer protein inhibitors",
    Med. Chem. Commun.,2, 840-852, (2011)
    DOI: 10.1039/C1MD00135C

  • Nitin S. Sapre, Tarang Bhati, Swagata Gupta, Nilanjana Pancholi, Urmila Raghuvanshi, Divya Dubey, Vandana Rajopadhyay, Neelima Sapre,
    "Computational modeling studies on anti-HIV-1 non-nucleoside reverse transcriptase inhibition by dihydroalkoxybenzyloxopyrimidines analogues: an electrotopological atomistic approach",
    Journal of Biophysical Chemistry,2(3), 361-372 (2011)
    DOI:10.4236/jbpc.2011.23041

  • N. Noolvi, Malleshappa; M. Patel, Harun; Kaur, Tarandeep,
    "A QSAR Analysis of Coumarin Derivatives as TNF-α Inhibitor - A Rational Approach to Anticancer Drug Design",
    Letters in Drug Design & Discovery,8(9), 868-876, (2011)

  • Sisir Nandi and Manish C. Bagchi,
    "Activity Prediction of Some Nontested Anticancer Compounds Using GA-Based PLS Regression Models",
    Chemical Biology & Drug Design, (2011)
    DOI:10.1111/j.1747-0285.2011.01177.x

  • Mukesh Chandra Sharma and Dharm Veer Kohli,
    "2D and 3D QSAR Studies of Substituted 4H-Pyrido [1.2-1] Pyrimidin-4-Ones Angiotensin II Receptor Antagonists",
    American-Eurasian Journal of Toxicological Sciences,3(2),92-100, (2011)

  • Indrani Mitra,Achintya Saha & Kunal Roy,
    "Development of multiple QSAR models for consensus predictions and unified mechanistic interpretations of the free-radical scavenging activities of chromone derivatives",
    Journal of Molecular Modeling, (2011)
    DOI:10.1007/s00894-011-1198-x

  • Arijit Basu, Barij N. Sinha, Philipp Saiko, Geraldine Graser and Thomas Szekeres,
    "N-Hydroxy-N'-aminoguanidines as anti-cancer lead molecule: QSAR, synthesis and biological evaluation",
    Bioorganic & Medicinal Chemistry Letters,21(11),3324-3328, (2011)
    DOI:10.1016/j.bmcl.2011.04.009

  • Trupti S. Chitre, Kailash G. Bothara, Shashikant V. Bhandari, Rajeshwar R. Jalnapurkar, Muthu K. Kathiravan,
    "Pharmacophore optimization and design of competitive inhibitors of Thymidine Monophosphate Kinase through molecular modeling studies",
    Chemical Biology & Drug Design, (2011)
    DOI:10.1111/j.1747-0285.2011.01200.x

  • Nitendra K. Sahu, Sadhana Shahi, Mukesh C. Sharma, D. V. Kohli,
    "QSAR studies on imidazopyridazine derivatives as PfPK7 inhibitors",
    Molecular Simulation, 37(9),752-765, (2011)

  • S. K. Bansal, B. N. Sinha and R. L. Khosa,
    "QSAR and docking-based computational chemistry approach to novel GABA-AT inhibitors: kNN-MFA-based 3DQSAR model for phenyl-substituted analogs of ß-phenylethylidene hydrazine",
    Medicinal Chemistry Research,20(5),549-553, (2011)

  • Shanmugam Hemaiswarya, Rohini Soudaminikkutty, Mohana Lakshmi Narasumani and Mukesh Doble,
    "Phenylpropanoids inhibit protofilament formation of Escherichia coli cell division protein (FtsZ)",
    Journal of Medical Microbiology, (2011)
    DOI:10.1099/jmm.0.030536-0

  • N.S. Hari Narayana Moorthy, Maria J. Ramos, and Pedro A. Fernandes,
    "Topological, hydrophobicity, and other descriptors on a-glucosidase inhibition: a QSAR study on xanthone
    derivatives",
    Journal of Enzyme Inhibition and Medicinal Chemistry, (2011)
    DOI:10.3109/14756366.2010.549089

  • Andreia Palmeira, Freddy Rodrigues, Emília Sousa, Madalena Pinto, M. Helena Vasconcelos, Miguel X. Fernandes,
    "New uses for old drugs: pharmacophore-based screening for the discovery of P-glycoprotein inhibitors",
    Chemical Biology and Drug Design, (2011)
    DOI:10.1111/j.1747-0285.2011.01089.x

  • Sisir Nandi and Manish C. Bagchi,
    "In silico design of potent EGFR kinase inhibitors using combinatorial libraries",
    Molecular Simulation,37(3),196–209, (2011)

  • Obdulia Rabal,Manuel Urbano-Cuadrado,Julen Oyarzabal,
    "Computational medicinal chemistry in fragment-based drug discovery: what, how and when",
    Future Med. Chem., 3(1), 95–134, (2011)

  • S. Hari Narayana Moorthy, N.; J. Ramos, Maria; A. Fernandes, Pedro
    "QSAR Analysis of Isosteviol Derivatives as a-Glucosidase Inhibitors with Element Count and Other Descriptors",
    Letters in Drug Design & Discovery,8(1),14-25, (2011)

  • Ramesh L. Sawant, Varsha I. Sarode, Ganesh D. Jadhav and Jyoti B. Wadekar,
    "Synthesis, molecular docking, and cardioprotective activity of 2-methylthio-1,4-dihydropyrimidines",
    Medicinal Chemistry Research, (2011)
    DOI: 10.1007/s00044-011-9700-7

  • Rajesh Sharma, Debadash Panigrahi and Ganesh Prasad Mishra,
    "QSAR studies of 7-methyljuglone derivatives as antitubercular agents",
    Medicinal Chemistry Research, (2011)
    DOI: 10.1007/s00044-011-9731-0

  • P. B. Choudhari and M. S. Bhatia,
    "3D QSAR, docking studies, and pharmacophore modeling of selected factor Xa inhibitors",
    Medicinal Chemistry Research, (2011)
    DOI: 10.1007/s00044-011-9663-8

  • Shailesh V. Jain, Kamlendra S. Bhadoriya and Sanjaykumar B. Bar,
    "QSAR and flexible docking studies of some of some aldose reductase inhibitors obtained from natural origin",
    Medicinal Chemistry Research, (2011)
    DOI: 10.1007/s00044-011-9681-6

  • Deepak Singla, Meenakshi Anurag, Debasis Dash and Gajendra P.S. Raghava,
    "A Web Server for Predicting Inhibitors against Bacterial Target GlmU Protein",
    BMC Pharmacology, (2011)
    DOI: 10.1186/1471-2210-11-5

  • Mukesh C. Sharma and D.V. Kohli,
    "QSAR Studies of a series of angiotensin II receptor substituted benzimidazole bearing acidic heterocycles derivatives",
    ournal of Saudi Chemical Society, (2011)
    DOI: 10.1016/j.jscs.2011.08.005

  • Mukesh C. Sharma and D.V. Kohli,
    "QSAR Analysis of imidazo[4, 5-b] pyridine substituted a-Phenoxyphenylacetic acids as Angiotensin II AT1 Receptor Antagonists",
    Journal of Saudi Chemical Society, (2011)
    DOI: 10.1016/j.jscs.2011.07.013

  • S. K. Jain, S. Vishwakarma and P. Nayak,
    "3D QSAR Analysis on Pyrrolidine Derivatives as DPP IV Inhibitors",
    International Journal of Research in Pharmaceutical and Biomedical Sciences,2(3),1021-1032, (2011)

  • Mukesh Chandra Sharma and Dharm Veer Kohli,
    "3D QSAR Studies on a Series Of Sulfonylcarbamate Isostere Derivatives as Non-Peptide Angiotensin II Receptor Antagonists: kNNMFA Method",
    American-Eurasian Journal of Scientifc Research,6(2),64-70, (2011)

  • Mukesh Chandra Sharma and Dharm Veer Kohli,
    "3D Qsar Studies on a series Of-[(1-Benzyl-1H-Imidazol-5-yl)-alkyl]-Amino Derivatives as Angiotensin
    II AT1,Antagonists",
    American-Eurasian Journal of Scientifc Research,6(2),79-84, (2011)

  • Sanmati K. Jain, Sarthak Rout and Amita Jaiswal,
    "Conventional QSAR analysis on 2-cyano-4-fluoro-1-thiovalylpyrrolidine analogues as dipeptidyl peptidase-IV inhibitors",
    Der Pharmacia Sinica, 2(3),20-30, (2011)

  • Mukesh C. Sharma,D.V. Kohli,
    "QSAR studies on substituted benzimidazoles as angiotensin II receptor antagonists: kNN-MFA approach",
    Arabian Journal of Chemistry, (2011)
    DOI: 10.1016/j.arabjc.2011.05.015

  • Mukesh Chandra Sharma and Dharm Veer Kohli,
    "3D QSAR Approch on Substituted Isoxazolidines Derivatives as Angiotensin II Receptor Antagonist",
    American-Eurasian Journal of Toxicological Sciences,3(2),85-91, (2011)

  • Raj K. Prasad and Rajesh Sharma,
    "2D QSAR Analysis of Pyrazinecarboxamides derivatives as an herbicidal agent",
    J. Comput. Method. Mol. Design,1(1),7-13, (2011)

  • A.K. Pathak, Satish K. Sarankar, Parul Mehta,
    "Two dimensional QSAR study of novel 2-(4-methyl sulfonylphenyl) pyrimidine derivatives as highly potent and specific COX-2 inhibitors",
    Journal of Pharmacy Research,4(6),1592-1595, (2011)

  • Harish Pandey, Parul Mehta, A.K.Pathak, Himesh Soni,
    "2D-QSAR study of 4-(4-alkoxylphenyl)-3-ethyl-4H-1,2,4-triazoles as open-chain analogues of 7-alkoxyl-4,5-dihydro[1,2,4]triazolo[4,3-a] quinolines",
    Journal of Pharmacy Research,4(5),1349-1352, (2011)

  • Mukesh C. Sharma, and D.V. Kohli,
    "Insight into the structural requirement of substituted quinazolinone biphenyl acylsulfonamides derivatives as Angiotensin II AT1 receptor antagonist: 2D and 3D QSAR approach",
    Journal of Saudi Chemical Society, (2011)
    DOI: 10.1016/j.jscs.2011.05.011
  • Mukesh C. Sharma,Smita Sharma, Nitendra K. Sahu and D.V. Kohli,
    "QSAR studies of some substituted imidazolinones angiotensin II receptor antagonists using Partial Least Squares Regression (PLSR) method based feature selection",
    Journal of Saudi Chemical Society, (2011)
    DOI: 10.1016/j.jscs.2011.03.012

  • Mukesh C. Sharma and D.V. Kohli,
    "An approach to design antihypertensive agents by 2D QSAR studies on series of substituted benzimidazoles derivatives as angiotensin II receptor antagonists",
    Arabian Journal of Chemistry, (2011)
    DOI: 10.1016/j.arabjc.2011.04.016

  • Mukesh Chandra Sharma and Dharm Veer Kohli,
    "Predicting Alkylbenzimidazole Derivatives as Angiotensin II Receptor Antagonists: 3d Qsar by kNN-MFA Approach",
    Advances in Biological Research, 5(3),161-169, (2011)

  • Mukesh Chandra Sharma and Dharm Veer Kohli,
    "3D QSAR Studies of Substituted-4(3H) Quinazolinones Derivatives as Angiotensin II Receptor Antagonists",
    European Journal of Applied sciences, 3(1),15-23, (2011)
  • Mukesh Chandra Sharma and Dharm Veer Kohli,
    "QSAR Study on Sulfonylcarbamare Derivatives: An Insight into the structural Requirement for the Angiotensin II receptor Antagonist",
    European Journal of Applied sciences, 3(1),09-14, (2011)

  • Malleshappa N. Noolvi and Harun M. Patel,
    "A comparative QSAR analysis and molecular docking studies of quinazoline derivatives as tyrosine kinase (EGFR) inhibitors: A rational approach to anticancer drug design",
    Journal of Saudi Chemical Society, (2011)
    DOI: 10.1016/j.jscs.2011.04.017

  • Mukesh Chandra Sharma, Dharm Veer Kohli,
    "Exploration of Quantitative Structure Activity Relationship Studies on a Series of Substituted Quinazolinones as Angiotensin II AT1 Receptor Anagonists",
    World Applied Sciences Journal, 12(11),2111-2119, (2011)

  • N. Noolvi, Malleshappa; M. Patel, Harun; Bhardwaj, Varun,
    "A Comparative QSAR Analysis of Quinazoline Analogues as Tyrosine Kinase (erbB-2) Inhibitors",
    Medicinal Chemistry,7(3),200-212, (2011)

  • Ramesh L. Sawant, Ganesh K. Dhikale, Sanket D. Hadawale and Prashant D. Lanke,
    "3D–QSAR analysis of 5–cyano–6–aryl–2–thiouracil as inhibitors of Hepatitis C viral NS5B RNA–dependent RNA polymerase",
    Der Pharma Chemica,3(2),88-95, (2011)

  • Ramesh L. Sawant, Jyoti B. Wadekar, Prashant d. Lanke,
    "QSAR Analysis of Structurally Similar Antitubercular Isatin Analogues",
    Lat. Am. J. Pharm. 30 (4), 773-80, (2011)

  • Malleshappa N. Noolvi, Harun M. Patel and Varun Bhardwaj,
    "An Approach to Design Anticancer Agents by 2D QSAR Studies on a Series of Quinazoline Analogues as Tyrosine Kinase (erbB-2) Inhibitors",
    Medicinal Chemistry,7(1), (2011)

  • Shishir Kumar Gupta, Lokesh Baweja, Deepak Gurbani, Alok Pandey, Alok Dhawan,
    "Interaction of C60 Fullerene with the Proteins Involved in DNA Mismatch Repair Pathway",
    Journal of Biomedical Nanotechnology,7(1), 179-180, (2011)

  • Lokesh Baweja, Deepak Gurbani, Rishi Shanker, Alok K. Pandey, V. Subramanian, and Alok Dhawan,
    "C60-Fullerene Binds with the ATP Binding Domain of Human DNA Topoiosmerase II Alpha",
    Journal of Biomedical Nanotechnology,7, 177-178, (2011)

  • K. Venkateswara Swamy, Supriya Kore, Rachna Pandey,Madhukar Khetmalas,
    "Extraction, Isolation, Molecular Modeling and Optimization ofAntimicrobial Agents from Coriandrum sativum",
    Current Trends in Biotechnology and Pharmacy, 4(5), 1033-1033, (2011)

  • Solanki N. I., Savjani J. K. , Dakhara Sanjay L., Sanghani G. G.,
    "QSAR study of some new 1-tolyl-3-aryl-4-methylimidazole-2-thiones as antifungal agents",
    Inventi Rapid: Med Chem,2(1), (2011)

  • Kalpana Prajapati, Sameer Singh, A K Pathak, P Mehta,
    "QSAR analysis on some 8-methoxy quinoline derivatives as H37RV (MTB) inhibitors",
    International Journal of ChemTech Research,193),408-422, (2011)

  • Chitre T. S. and Bothara K. G.,
    "Pyrimidinedione: Pharmacophore Optimization of Selective Thymidine Monophosphate Kinase inhibitors using Group QSAR Studies as Potential Antitubercular agents",
    Journal of Chemical and Pharmaceutical Research,3(2),479-488, (2011)
  • Sanmati K. Jain, S. Mallick, R. Dubey, S. Nag and A. Yadav,
    "2D-QSAR analysis on 4-Flouro-2-Cyanopyrrolidine derivatives as DPP-IV Inhibitors",
    J. Comput. Method. Mol. Design,1(1),14-25, (2011)
  • Raj K. Prasad and Rajesh Sharma,
    "2D QSAR Analysis of Pyrazinecarboxamides derivatives as an herbicidal agent",
    J. Comput. Method. Mol. Design, 1 (1),7-13, (2011)

 
 
2010

Research publications

  • Derseree Archary,Michelle L. Gordon,Taryn N. Green,Hoosen M. Coovadia,Philip J.R. Goulder,Thumbi Ndung'u,
    "HIV-1 subtype C envelope characteristics associated with divergent rates of chronic disease progression",
    Retrovirology, (2010)
    DOI:10.1186/1742-4690-7-92.

  • Aarti Garg, Rupinder Tewari, Gajendra PS Raghava,
    "Virtual Screening of potential drug-like inhibitors against Lysine/DAP pathway of Mycobacterium tuberculosis",
    BMC Bioinformatics,11(Suppl 1), (2010)
    DOI:10.1186/1471-2105-11-S1-S53

  • Andreia Palmeira, Freddy Rodrigues, Emília Sousa,Madalena Pinto,M. Helena Vasconcelos,Miguel X. Fernandes,
    "Pharmacophore-Based Screening as a Clue for the Discovery of New P-Glycoprotein Inhibitors",
    Advances in Bioinformatics,Springer Berlin / Heidelberg,175-180, (2010)
    DOI: 10.1007/978-3-642-13214-8_23

  • Vidya Pawar, Deepak Lokwani, Shashikant Bhandari,Debashis Mitra, Sudeep Sabde, Kailash Bothara , Ashwini Madgulkar
    "Design of potential reverse transcriptase inhibitor containing Isatin nucleus using molecular modeling studies",
    Bioorganic & Medicinal Chemistry, 18(9), 3198-3211, (2010)
    DOI:10.1016/j.bmc.2010.03.030

  • Rajeev K Singla, Varadaraj Bhat,
    "QSAR model for predicting the fungicidal action of 1,2,4-triazole derivatives against Candida albicans",
    Journal of Enzyme Inhibition and Medicinal Chemistry, (2010)
    DOI: 10.3109/14756360903524296
  • Deepak Lokwani, Shashikant Bhandari, Radha Pujari, Padma Shastri, Ganesh shelke, Vidya Pawar,
    "Use of Quantitative Structure–Activity Relationship (QSAR) and ADMET prediction studies as screening methods for design of benzyl urea derivatives for anti-cancer activity",
    Journal of Enzyme Inhibition and Medicinal Chemistry, (2010)
    DOI: 10.3109/14756366.2010.506437

  • Sivakumar P.M., Kumar V., Seenivasan S.P., Mohanapriya J.,Doble M,
    "Anti tubercular activity of chalcones - Experimental and QSAR studies",
    Advances in Biomedical Research.,WSEAS Press, University of Cambridge, UK, p. 168-172, (2010)

  • Keshari Kishore Jha, Abdul Samad, Yatendra Kumar, Mohd. Shaharyar, Ratan Lal Khosa, Jainendra Jain, Vikash kumar and Priyanka Singh,
    "Design, Synthesis and Biological Evaluation of 1, 3, 4-oxadiazole Derivatives",
    European Journal of Medicinal Chemistry, (2010)
    DOI:10.1016/j.ejmech.2010.08.003

  • Hemal A. Bhuva,Suvarna G. Kini,
    "Synthesis, anticancer activity and docking of some substituted benzothiazoles as tyrosine kinase inhibitors",
    Journal of Molecular Graphics and Modelling, (2010)
    DOI: 10.1016/j.jmgm.2010.04.003

  • Santosh S. Chhajed, Puranik Manisha, Virupaksha A. Bastikar, Haldar Animeshchandra, V.N. Ingle, Chandrashekhar D. Upasani and Sachin S. Wazalwar,
    "Synthesis and molecular modeling studies of 3-chloro-4-substituted-1-(8-hydroxy-quinolin-5-yl)-azetidin-2-ones as novel anti-filarial agents",
    Bioorganic & Medicinal Chemistry Letters,20(12),3640-3644, (2010)

More
  • Malleshappa N. Noolvi and Harun M. Patel,
    "3D QSAR Studies On A Series Of Quinazoline Derrivatives As Tyrosine Kinase (Egfr) Inhibitor: The K-Nearest Neighbor Molecular Field Analysis Approach.",
    Journal of Basic and ClinicalPharmacy, 1(3),153-175, (2010)

  • Subhash Ajmani, Avantika Agrawal,Sudhir A. Kulkarni,
    "A Comprehensive Structure-Activity Analysis of Protein Kinase B-alpha (Akt1) Inhibitors",
    Journal of Molecular Graphics and Modelling, (2010)
    DOI: 10.1016/j.jmgm.2010.01.007

  • Marimuthu Parthiban, Piramanayagam Shanmughavel, Ramanathan Sowdhamini2
    "In silico point mutation and evolutionary trace analysis applied to nicotinic acetylcholine receptors in deciphering ligand-binding surfaces",
    Journal of Molecular Modeling, (2010)
    DOI 10.1007/s00894-010-0670-3

  • Payel Ghosh and Manish C. Bagchi,
    "Anti-tubercular drug designing by structure based screening of combinatorial libraries",
    Journal of Molecular Modeling, (2010)
    DOI: 10.1007/s00894-010-0861-y

  • P S Sivakumar, Vanaja kumar, S. Prabu seenivasan, J. Mohanapriya,mukesh doble,
    "Experimental and Theoretical approaches to enhance Anti tubercular Activity of Chalcones",
    Wseas Transactions On Biology And Biomedicine,7(2),51-61, (2010)

  • Nitish K Mishra,Sandhya Agarwal,Gajendra PS Raghava,
    "Prediction of cytochrome P450 isoform responsible for metabolizing a drug molecule",
    BMC Pharmacology, (2010)
    DOI:10.1186/1471-2210-10-8

  • S. K. Bansal, B. N. Sinha,R. L. Khosa,
    "QSAR and docking-based computational chemistry approach to novel GABA-AT inhibitors: kNN-MFA-based 3DQSAR model for phenyl-substituted analogs of ß-phenylethylidene hydrazine",
    Medicinal Chemistry Research, (2010)
    DOI: 10.1007/s00044-010-9350-1 

  • Ankur Vaidya, Abhishek Kumar Jain, Vishnu Kant Mouryaa, Sushil Kumar Kashaw,Ram Kishore Agrawal,
    "Predicting anti-cancer activity of topoisomerase ii inhibitors:kNN MFA approach",
    Medicinal Chemistry Research 19:S53 (2010)

  • Patil V. M., Gupta S. P., Samanta S., Masand Neeraj,
    "3D-QSAR  kNN MFA study on thiouracil derivatives as Hepatitis c virus inhibitors",
    Medicinal Chemistry Research 19:S98 (2010)

  • S.K.Bansal,B.N.Sinha, R.L.Khosa, A. J. Olson,
    "Novel gaba-at inhibitors: qsar- and docking-based virtual screening of Phenyl-substituted b-phenyl ethylidene hydrazine analogs",
    Medicinal Chemistry Research 19:S114 (2010)

  • Gupta S.P, Patil V.M, Samanta S.,
    "A 3D-QSAR Study on a Series of Benzimidazole Derivatives Acting as Hepatitis C Virus Inhibitors: Application of kNN-Molecular Field Analysis",
    Medicinal Chemistry,PMID: 20218964 (2010)

  • S. K. Bansal, B. N. Sinha, R. L. Khosa and A. J. Olson,
    "Novel GABA-AT inhibitors: QSAR and docking based virtual screening of phenyl substituted ß-phenyl ethylidene hydrazine analogues",
    Medicinal Chemistry Research, (2010)
    DOI:10.1007/s00044-010-9390-6

  • Prashant Joshi, Omprakash Tanwar, Sujit Rambhade, Mukesh Bhaisare and Deepti Jain
    "2-D QSAR studies of steroidal natural products oleanic acid and their semisynthetic derivatives as potent protein tyrosine phosphatase 1B inhibitors",
    Medicinal Chemistry Research, (2010)
    DOI:10.1007/s00044-010-9529-5

  • Bhatia N.M., Mahadik K.R., Bhatia M.S.,
    "Exploring the influence of steric, electronic and lipophilic descriptors of 1,3-diarly propenones on their anti-inflammatory activity",
    DARU,18(3),230-236, (2010)

  • Kundan Ingle,Manish S. Bhatia,
    "2D and 3D QSAR Studies and Antibacterial Activity of 4-Methyl-3-(6-{[Arylmethylene] Amino}Pyridin-3-YL)- 2H-Chromen-2-One Derivatives",
    Lat. Am. J. Pharm. 29 (6),889-97, (2010)

  • N.K. Sahu, M. Sharma, V. Mourya, D.V. Kohli,
    "QSAR Studies of Some Side Chain Modified 7-Chloro-4-Aminoquinolines as Antimalarial Agents",
    Arabian Journal of Chemistry, (2010)
    DOI:10.1016/j.arabjc.2010.12.005

  • Mamta Thakur, Lokendra Ojha, Abhilash Thakur and Bal Krishn Solanki,
    "Study of active site and SAR of some benzodiazepines",
    Journal of Computational Biology and Bioinformatics Research,2(2),10-19, (2010)

  • Mahesh Kumar, Sumitra Nain, Aggarwa N ,Nagori B. P, V.P Dubey, Anil sharma ,Gullaiya S,
    "2D-QSAR Studies on 1, 4-dihydropyridines as Ca++ Channel Blockers",
    Journal of Chemical and Pharmaceutical Research,2(4),159-165, (2010)

  • Ramesh L. Sawant and Prashant D. Lanke,
    "Microwave Assisted Synthesis and 3D QSAR Analysis of Analgesic Oxadiazoles",
    International Journal of Drug Design and Discovery,1(4),336-344, (2010)

  • Prafulla. B. Choudhari1, Kundan. B. Ingale, Neela M. Bhatia, Manish. S. Bhatia,Deepak. B. Sangale and Ramesh. L Sawant,
    "Two and Three-Dimensional Quantitative Structure-Activity Relationship Analysis on A Series of Anthelmintics",
    International Journal of Drug Design and Discovery,1(4),325-330, (2010)

  • Malleshappa N. Noolvi, Varun Bhardwaj and Harun M. Patel,
    "33D QSAR Studies on a Series of 4-Anilino Quinazoline Derivatives as Tyrosine Kinase (EGFR) Inhibitor:
    The k-Nearest Neighbor Molecular Field Analysis Approach",
    International Journal of Drug Design and Discovery,1(4),298-309, (2010)

  • Satish K. Sarankar, Kalpna Tomar, Jitendra Bajaj, Parul Mehta, A.K. Pathak, Mukul Tailang,
    "QSAR Study of Novel Benzothiophene Derivatives as Potent Anticancer Agent",
    International Journal of Advances in Pharmaceutical Sciences,1(1),309-318, (2010)

  • Bhatia Manish S., Choudhari Prafulla B., Ingale Kundan B., Bhatia Neela M,
    "Pharmacophore Modelling, Docking and 3D-QSAR Study of Potential Inhibitors of Lumazine synthase",
    International Journal of Drug Design and Discovery,1(3),216-220, (2010)

  • Malleshappa N. Noolvi, Harun M. Patel and Navdeep Singh Sethi,
    "2D-QSAR Study of 1,3,4-thiadiazole-2-arylhydrazone Derivatives: An Approach to Design Antitrypanosomal Agents",
    International Journal of Drug Design and Discovery,1(3),195-208, (2010)

  • S. Mahapatra, S. K. Dwivedi, B. C. Maiti, T. K. Maity, S. Manda,A. K. Manna,
    "QSAR Analysis of N-Alkyl Phthalimide Analogues As An Alpha-Glucosidase Inhibitors",
    International Journal of Pharmaceutical and Applied Sciences,1(1),79-84, (2010)

  • Joohee Pradhan,Rajesh Sharma,Anju Goyal,
    "3D-QSAR Studies On 2- Arylcarbonyl -3-Trifluoromethylquinoxaline 1, 4-Di-Noxide Derivatives And Their Reduced Analogues Using K-NN MFA Approach",
    International Journal of Pharma Research and Development, IJPRD/2010/PUB/ARTI/VOV-2/ISSUE-6/AUG/008 ISSN 0974 –9446, (2010)

  • Jain Prince, Patel Kuldeep, Tanwar Omprakash, Patel Pratibha, Jain Arvind , Baghel Ravi Raj, Sahu Praveen ,Trivedi Piyush,
    "2D-QSAR of Oxadiazolyl Ketones as DPP-IV Inhibitors",
    International Journal of ChemTech Research,Vol.2, No.3, pp 1473-1479, (2010)

  • Mukesh Chandra Sharma, Smita Sharma,
    "Quantitative Structure Activity Relationship Studies of A Novel Class of Dual PPAR ?/d Agonists",
    International Journal of PharmTech Research,2(2),1376-1382, (2010)

  • Bhanudas S. Kuchekar, Yogesh V. Pore,
    "3D QSAR investigations on locomotor activity of 5-cyano-N1,6-disubstituted 2-thiouracil derivatives",
    Drug Discoveries & Therapeutics,4(3),168-174, (2010)

  • Raj K. Prasad, Rajesh Sharma,
    "3D QSAR analysis of new N-linked 5-triazolylmethyl oxazolidinones derivative as antibacterial agents",
    Der Pharma Chemica,2(2),241-248, (2010) 

  • Malleshappa N. Noolvi and Harun M. Patel,
    "2D QSAR Studies on a Series of Quinazoline Derivatives as Tyrosine Kinase (EGFR) Inhibitor: An Approach to Design Anticancer Agents",
    Letters in Drug Design & Discovery,BSP/LDDD/E-Pub/00088, (2010)

  • Neeraj K. Sharma1, Y. Kumar, Shakti Sahi, Priyanka,
    "3D QSAR studies of pyrrolo[2,1f][1,2,4] triazines as tyrosine kinase inhibitors",
    International Journal of Pharmacy and Pharmaceutical Sciences,2(2),118-121, (2010) 

  • Malleshappa N. Noolvi, H. M. Patel, Navdeep Singh Sethi,
    "3d qsar studies on a series of 1,3,4-thiadiazole-2-arylhydrazone derivatives as antitrypanosomal agents.The k-nearest neighbor molecular field analysis approach",
    Digest Journal of Nanomaterials and Biostructures,5(2),519–533, (2010)

  • Malleshappa N.Noolvi, Harun M. Patel, Varun Bhardwaj,
    "2d qsar studies on a series of 4-anilino quinazoline derivatives as tyrosine kinase (egfr) inhibitor: an approach to design anticancer agents",
    Digest Journal of Nanomaterials and Biostructures,5(2),387–401, (2010)

  • Smita Sharma, Mukesh Chandra Sharma, A. D. Sharma
    "Quantitative structure-activity relationship analysis of some 2- substituted halogenbenzimidazoles analogues using computer-aided drug designing technique",
    J. Chem. Pharm. Res., 2(2): 357-365, (2010) 

  • Mukesh Chandra Sharma, Smita Sharma, D. V. Kohli, S. C. Chaturvedi,
    "Prediction of Anti-HIV Activity of Non-Nucleoside Inhibitors of Human Immuno Deficiency Virus -I Derivatives: Molecular Modelling Approach",
    Archives of Applied Science Research,2(1) 134-142, (2010)

  • M.S.Bhatia, K.B. Ingle, P.B. Choudhari, B.E. Zarekar,N.M.Bhatia, A.S. Sherikar,
    "3D QSAR: Exploring Influence of Parameters of Pyrazoline Analogues on Resistant Strains of Staphylococcus aureus",
    International Journal of Drug Design and Discovery",1(1),41-48, (2010)

  • Ramesh Sawant, Prashant Lanke, Ganesh Jadhav, Lokesh Bhangale,
    "QSAR analysis of structurally similar 1, 3, 4 - oxadiazoles as enzyme tyrosinase inhibitors",
    Drug Invention Today 2(2),169-172, (2010)

  • M. C. Sharma, Smita Sharma, D. V. Kohli, S. C. Chaturvedi,
    "QSAR and k-Nearest Neighbour Molecular Field Analysis (k-NN MFA) Classification Analysis of Studies of Some Bemzimid azoles Derivatives Antibacterial activity Against Escherichia coli",
    Der Pharmacia Lettre,2 (1),150-161, (2010)

  • M. C. Sharma, Smita Sharmaa, D. V. Kohli, S. C. Chaturvedi,
    "Three Dimensional Quantitative Structural–Activity Relationship (3D-QSAR) Studies some 3-{4-[3-(2-aryl-phenoxy) butoxy]-phenyl} Propionic acids as novel PPAR γ/δ agonists",
    Der Pharma Chemica,2(1),82-90, (2010)

  • M.C.SHARMA, SMITA SHARMA,
    "3D- Quantitative Structure-Activity Relationship Analysis of Some 2-Substituted Halogenbenzimidazoles Analogues with Antimycobacterial activity",
    International Journal of ChemTech Research,2(1),606-614, (2010)

  • Sanmati K. Jain, Ravindra D. Dubey, S. Mallick, S. Nag, A. Yadav, A. Mishra,Naveen K. Mahobia,
    "2D and 3D-QSAR Analysis of some 1, 3-disubstituted Urea Derivatives for Antiproliferative Activity",
    Der Pharma Chemica,2(6),125-133, (2010)

  • Chhajed S.S.,Hiwanj P. B.,Bastikar V.A.,Upasani C.D, Udavant P.B.,Dhake, A.S.and Mahajan, N.P.,
    "Structure Based Design and In-Silico Molecular Docking Analysis of Some Novel Benzimidazoles",
    International Journal of ChemTech Research,"2(2),1135-1140, (2010)

 
2009

Research Publication

  • Maria Teresa Giardi, Viviana Scognamiglio, Giuseppina Rea, Giuseppe Rodio, Amina Antonacci, Maya Lambreva, Gianni Pezzotti and Udo Johanningmeier,
    "Optical biosensors for environmental monitoring based on computational and biotechnological tools for engineering the photosynthetic D1 protein of Chlamydomonas reinhardtii",
    Biosensors and Bioelectronics, Vol 25 Issue 2, 294-300 (2009)
    DOI: 10.1016/j.bios.2009.07.003
  • Giuseppina Rea, Fabio Polticelli, Amina Antonacci, Viviana Scognamiglio, Prashant Katiyar, Sudhir A. Kulkarni, Udo Johanningmeier, Maria Teresa Giardi,
    "Structure-based design of novel Chlamydomonas reinhardtii D1-D2 photosynthetic proteins for herbicide monitoring",
    Protein Science,18,2139—2151 (2009)
    DOI: 10.1002/pro.228
  • K. Kanagarajadurai, M. Malini, A. Bhattacharya, M. Panicker, R. Sowdhamini,
    "Molecular modeling and docking studies of human 5-hydroxytryptamine 2A (5-HT2A) receptor for the identification of hotspots for ligand binding",
    Molecular BioSystyms, 5, 1877 - 1888, (2009)
    DOI: 10.1039/b906391a

  • Payel Ghosh, Manish C. Bagchi,
    "QSAR Modeling for Quinoxaline Derivatives using Genetic Algorithm and Simulated Annealing based Feature Selection",
    Current Medicinal Chemistry,Vol 16(30),4032-4048 (2009)
    DOI: 10.2174/092986709789352303
  • A. K. Pandey, D. Gurbani, M. Bajpayee, D. Parmar, S. Ajmani,A. Dhawan,
    "In silico studies with human DNA Topoisomerase II alpha to unravel the mechanism of in vitro genotoxicity of benzene and its metabolites",
    Mutation Research - Fundamental and Molecular Mechanisms of Mutagenesis,
    661, 57–70 (2009)
  • Viney Lather, Miguel X. Fernandes,
    "QSAR Models for Prediction of PPAR Agonistic Activity of Indanylacetic Acid Derivatives",
    QSAR & Combinatorial Science,Volume 28(4), 447 - 457 (2009)
  • Subhash Ajmani, Kamalakar Jadhav, Sudhir A. Kulkarni
    "Group Based QSAR (G-QSAR) : Mitigating Interpretation Challenges in QSAR"
    QSAR & Combinatorial Science, 28(1),36–51 (2009)
  • Ram Prakash Rajwade, Rama Pande, K. P. Mishra, Amit Kumar, B. N. Pandey,
    "Hydroxamic Acids Analogous Against Breast Cancer Cells: 2D-QSAR and 3D-QSAR Studies",
    QSAR & Combinatorial Science, (2009)
    DOI: 10.1002/qsar.200910023

  • Subhash Ajmani, Sudheer Karanam,Sudhir A. Kulkarni,
    "Rationalizing Protein–Ligand Interactions for PTP1B Inhibitors Using Computational Methods",
    Chemical Biology & Drug Design,74,582–595 (2009)
    DOI: 10.1111/j.1747-0285.2009.00894.x
  • Sisir Nandi, Manish C. Bagchi,
    "3D-QSAR and molecular docking studies of 4-anilinoquinazoline derivatives: A rational approach to anticancer drug design",
    Molecular Diversity
    (2009)
    DOI: 10.1007/s11030-009-9137-9
More
  • Sudha Vengurlekar, Rajesh Sharma, Piyush Trivedi,
    "Two- and three-dimensional QSAR studies on benzyl amide-ketoacid inhibitors of HIV integrase and their reduced analogues",
    Medicinal Chemistry Research, (2009)
    DOI: 10.1007/s00044-009-9256-y
  • Payel Ghosh, Manish C. Bagchi,
    "Comparative QSAR studies of Nitrofuranyl Amide Derivatives using Theoretical Structural properties",
    Molecular Simulation 35(14),1185 - 1200, (2009)
    DOI: 10.1080/08927020903033141
  • V. Raparti, Trupti Chitre, K. Bothara, V. Kumar, S. Dangre, C. Khachane, S. Gore,B. Deshmane,
    "Novel 4-(morpholin-4-yl)-N'-(arylidene)benzohydrazides: Synthesis, antimycobacterial activity and QSAR investigations",
    European Journal of Medicinal Chemistry, Vol 44, Issue 10, 3954-3960 (2009)
    DOI:10.1016/j.ejmech.2009.04.023
  • Sisir Nandi and Manish C. Bagchi,
    "QSAR of aminopyrido[2,3-d]pyrimidin-7-yl derivatives: Anticancer drug design by computed descriptors",
    Journal of Enzyme Inhibition and Medicinal Chemistry, Vol. 24, No. 4, 937-948 (2009)
    DOI: 10.1080/14756360802519327
  • Sumit Bhaduri, Sami Mukhopadhyay and Sudhir A. Kulkarni
    “Density Functional studies on Chromium catalyzed ethylene trimerization”
    Journal of Organometallic Chemistry,694,1297–1307 (2009)
  • Dinesh Bhargava, C. Karthikeyan, N.S.H.N. Moorthy,Piyush Trivedi,
    "Quantitative Structure Activity Relationship Studies of Piperazinyl Phenylalanine Derivatives as VLA-4/VCAM-1 Inhibitors",
    Medicinal Chemistry,Vol. 5, No. 5, 446-454(9) (2009)
    DOI: 10.2174/15734060978911782
  • Neela Bhatia, Kakasaheb Mahadik, Manish Bhatia,
    "QSAR analysis of 1,3-diaryl-2-propen-1-ones and their indole analogs for designing potent antibacterial agents",
    Chemical Papers, 63(4), 456-463, (2009)
  • Reena Sachan, Rubha Saxena ,Vivek Srivastava,
    "Protein structure prediction of protease of Streptomyces lividans; Important for worldwide pharmaceutical",
    Biobytes, vol-4, 58-62, (2009)
  • Anupama Parate, S. C. Chaturvedi,
    "Structural insights for 3H-1, -2, -4 triazolinones as angiotensin II receptor antagonists using QSAR techniques",
    Medicinal Chemistry Research, (2009)
    DOI: 10.1007/s00044-009-9197-5,
  • Manish S. Bhatia, Kundan Ingle, Prafulla Choudhari, Ramesh Sawant & Chandragouda Patil,
    "Two- and Three-Dimensional Quantitative Structure-Activity Relationships Studies on a Series of Diuretics",
    Lat. Am. J. Pharm. 28 (6): 927-931, (2009)

  • Krishna Kant Jha, Abdul Samad, Yatendra Kumar, Mohd Shaharyar, RatanLal Khosa, Jainendra Jain and Sandeep Bansal,
    "3D QSAR Studies of 1,3,4-oxadiazole Derivatives as Antimycobacterial Agents",
    Iranian Journal of Pharmaceutical Research, 8 (3), 163-167, (2009)
  • Shashikant Bhandari,Kailash Bothara,Vidya Pawar,Deepak Lokwani,Titiksh Devale,
    "Design of New Chemicals Entities as Selective COX–2 Inhibitors using Structure Optimization by Molecular Modeling Studies",
    Internet Electronic Journal of Molecular Design 8(2),14–28, (2009)

  • Bhatia M.S., Mulani A.K., Choudhari P.B., Ingale K.B., Bhatia N.M.,
    "Synthesis and QSAR analysis of 5-substituted (arylmethylene) pyridin-2-amine derivatives as potential antibacterials",
    International Journal of Drug Discovery,1(1),1-9, (2009)

  • Kundan Ingale, Prafulla Choudhari, Manish Bhatia,Neela Bhatia, Ashish Mulani,
    "QSAR analysis of 5-substituted (arylmethylene) pyridin-2-amine derivatives for desiginig potent antifungals",
    Drug Invention Today,1(2),108-111, (2009)

  • K.K. Jha, Y. Kumar, Mohd. Shaharyar, Sachin Singhal,
    "Computer Added Drug Design of 1,3,4-oxadiazoles as antimycobacterial agents",
    Der Pharma Chemica, 1 (1): 178-184, (2009)

  • Raj K. Prasad, Tamanna Narsinghani, Rajesh Sharma,
    "QSAR analysis of novel N-alkyl substituted isatins derivatives as anticancer agents",
    Journal of Chemical and Pharmaceutical Research, 1(1),199-206, (2009)

  • Manish S. Bhatia, Prafulla B. Choudhari, Kundan B. Ingale, Neela M. Bhatia, Bandu E.Zarekar, Deepak.B.Sangale,
    "QSAR analysis of 2, 4-disubstituted 1, 5-benzodiazepinederivatives as cns depressants",
    Digest Journal of Nanomaterials and Biostructures, Vol. 4, No. 3, 579 - 585, (2009)

  • M.C.Sharma, D.V. Kohali, S.C. Chaturvedi, Smita Sharma,
    "Molecular modeling studies of some substituted 2-butylbenzimidazoles angiotensin ii receptor a ntagonists as antihypertensive agents",
    Digest Journal of Nanomaterials and Biostructures, Vol. 4(4), 843-856, (2009)

  • Omprakash Tanwar, C. Karthikeyan, N.S. Hari Narayana Moorthy, Piyush Trivedi,
    "QSAR study of 4’-(6, 7-disubstituted-2, 4-dihydro-indeno [1, 2-c] pyrazol-3-yl)-biphenyl-4-ol as potent Chk1 inhibitors",
    International Journal of Pure and Applied Chemistry (ISSN:0973-3876), Vol-4, Issue-2, (2009)
  • Virupkasha Bastikar, Kamalakar Jadhav, Virendra Gomase,
    "In-Silico Validation for Conformer Generation of Co-Crystallized Ligands",
    International Journal of Bioinformatics,Volume 2(1), 35-38 (2009)
  • Yogesh Pore, Bhanudas Kuchekar, Manish Bhatia, Kundan Ingle,
    "Quantitative structure activity relationship (QSAR) studies on 5-cyano, n1, 6-disubstituted, 2-thiouracil derivatives as central nervous system depressants",
    Digest Journal of Nanomaterials and Biostructures, Vol. 4, No.2, 373 – 382, (2009)
  • M.S.Bhatia, K.B.Ingale, P.B.Choudhari,N.M.Bhatia, R.L.Sawant,
    "Application quantum and physico chemical molecular descriptors utilizing principal components to study mode of anticoagulant activity of pyridyl chromen-2-one derivatives",
    Bioorganic & Medicinal Chemistry 17,1654–1662
    (2009)
  • J.D.Fegade, S.S.Rane, R.Y.Chaudhari, V.R.Patil,
    "3D-qsar study of Benzylidene Derivatives as selective Cyclooxygenase-2-inhibitors"
    Digest Journal of Nanomaterials and Biostructures, 4(1),145 - 154
    (2009)
 Up
2008

Research Publication

  • Subhash Ajmani,Stephen C Rogers, Mark H Barley, Andrew N Burgess, David J. Livingstone,
    "Characterisation of Mixtures Part 1: Prediction of infinite-dilution activity coefficients using neural network based QSPR models",
    QSAR and Combinatorial Science, 27, No. 11-12, 1346–136,
    (2008)
  • Subhash Ajmani and Sudhir A. Kulkarni
    "A Dual-Response Partial Least Squares Regression QSAR Model and its Application in Design of Dual Activators of PPAR-alpha and PPAR-gamma"
    QSAR & Combinatorial Science, 27, No. 11-12, 1291–1304, (2008)
  • R. Singh, A. Jain, V. Mourya, V. Ravichandran, R. K. Agrawal,
    "Prediction of antiproliferative activity of some flavone derivatives: QSAR study",
    Med. Chem. Res. (2008) DOI: 10.1007/s00044-008-9146-8
  • N. Chahar, L. K. Soni, S. G. Kaskhedikar
    “QSAR modeling of 6-aryl-2-substituted pyrimidin-4-yl phenols as anti-malarial agents”
    AAPS Journal, 001502 Vol 10(S2), (2008)
  • J. V. Shah, S. V. Bhandari, V. Vaidyanathan
    "Design of New Chemical Entities as Antibacterial Agents: Structure Optimization of Series of
    Nitrile Containing Fluoroquinolones Using 3-D QSAR and CombiLib Approach.”,
    AAPS Journal, 002125, 10(S2), (2008)
  • Abhishek K. Jain, Nimita Manochac , V. Ravichandrana, V. K. Mourya, R. K.Agrawal,
    "Three-Dimensional QSAR Study of 2,4 – Disubstituted- Phenoxy Acetic Acid Derivatives as a CRTh2 as a Receptor an Agonist: Using the k-Nearest Neighbor method",
    Digest Journal of Nanomaterials and Biostructures 3,147-158
    (2008)
  • N. Kansal, O. Silakari, and M Ravikumar
    "Three–Dimensional Molecular Field Analysis of Dihydroindazolocarbazole Analogues of KDR and Tie–2 Receptor Tyrosine Kinase"
    Inhibitors, Internet Electron. J. Mol. Des. 7, 142–151, (2008)
  • Virupaksha A. Bastikar, Shweta R. Fulsundar & Jagdish S. Nair
    "In Silico Docking Analysis of Peptide Deformylase (PDF) A Novel Target for Prophylaxis of Leptospirosis"
    Available from Nature Precedings http://hdl.handle.net/10101/npre.2008.1520.1 (2008) Link
 Up
Prior to 2008

Research publications

  • Sumit Bhaduri, Sami Mukhopadhyay, Sudhir A. Kulkarni   
    "Role of titanium oxidation states in polymerization activity of Ziegler Natta catalyst: A density functional study"  
    Journal of Organometallic Chemistry 691, 2810-2820 (2006)  Link
  • Vivek Barve, Fakhara Ahmed, Shreelekha Adsule, Sanjeev Banerjee, Sudhir Kulkarni, Prashant Katiyar, Christopher E. Anson, Annie K. Powell, Subhash Padhye, and Fazlul H. Sarkar
    "Synthesis, Molecular Characterization, and Biological Activity of Novel Synthetic Derivatives of Chromen-4-one in Human Cancer Cells"
    J. Med. Chem. 49, 3800-3808 (2006)  Link
  • Fakhara Ahmed, Shreelekha Adsule, Ashhar S. Ali, Sanjeev Banerjee, Shadan Ali, Sudhir Kulkarni, Subhash Padhye, Fazlul H Sarkar
    "A novel copper complex of 3-benzoyl-alpha methyl benzene acetic acid with anti-tumor activity mediated via cyclooxygenase pathway"
    International Journal of Cancer, 120, 734-742. (2006)  Link
  • Special Issue: Challenges in Virtual Screening,"Abstracts of QSAR-related Publications: 3D QSAR",
    QSAR Combi. Sci., 12,1203-1203
    (2006)
  • Subhash Ajmani, Kamalakar Jadhav and Sudhir A. Kulkarni
    "Three-Dimensional QSAR Using the k-Nearest Neighbor Method and Its Interpretation"
    J. Chem. Inf. Model. 46, 24-31, (2006)   Link 
  • Sarkar FH, Adsule S, Padhye S, Kulkarni S, Li Y.
    "The Role of Genistein and Synthetic Derivatives of Isoflavone in Cancer Prevention and Therapy"
    Mini-Reviews in Medicinal Chemistry. 2006 Vol 6, No. 5, (2006)  Link 
  • Murthy, J. Narashima; Nagaraju, M.; Sastry, G. Madhavi; Rao, A. Raghuram; Sastry, G.Narahari
    "Active site acidic residues and structural analysis of modelled human aromatase: A potential drug target for breast cancer"
    Journal of Computer-Aided Molecular Design, Vol 19, No. 12,
    (2005)  Link
  • Sami Mukhopadhyay, Sudhir A. Kulkarni, Sumit Bhaduri
    "Density functional study on the role of electron donors in propylene polymerization using Ziegler Natta catalyst"
    Journal of Organometallic Chemistry 690. 1356-1365, (2005) Link
  • Hima Bindu P., Madhavi Sastry G., Narahari Sastry G.
    "Characterization of calcium and magnesium binding domain of human 5-lipoxygenase"
    Biochemical and Biophysical Research Communications 320. 461-467 (2004)  Link
  • Reena Gollapudy, Subhash Ajmani and Sudhir A. Kulkarni
    "Modeling and interactions of Aspergillus fumigatus lanosterol 14-ademethylase ‘A’ with azole antifungals"
    Bioorganic Medicinal Chemistry 12. 2937-2950 (2004)  Link
  • Sami Mukhopadhyay, Sudhir A. Kulkarni, Sumit Bhaduri 
    "Density functional study on the role of electronic factors in variation of polymerization activity for Ziegler Natta catalyst"  
    Journal of Molecular Structure (Theochem) 673,  65-77 (2004)  Link
 
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