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Virtual screening

Virtual screening is the process that determines whether the library of molecules generated using computational techniques meets a number of criteria to become likely drug candidates. Accurate and a priori screening is of essence to take the critical ‘go – no go’ decisions regarding the newly designed molecules.

VLife offers Virtual Screening services to help drug discovery companies and discovery research scientists arrive at the correct decisions on which compounds from their libraries are worthy of further investment in terms of synthesis and experimental validation. Our expert scientists will put to use the latest technologies available to rank or filter a set of molecules based on the customer specified criteria.

VLife can assist you by utilizing a variety of screening filters depending upon the extent of structure and activity data that is available. Our scientists may employ either a ligand based screening approach or a structure based screening approach or both to provide you with the best scoring of the molecules in your library.  Our virtual screening services could include a QSAR predicted activity based screening, pharmacophoric feature based screening or docking based screening followed by filtering using an extended Lipinski rule of five. The step wise screening process helps to eliminate potentially unfavorable molecules at an early stage.
Virtual screening
Where VLife can help
Some other representative activities where our Knowledge Services can help you are:

  •  Fragment based molecule design
  •  Focused virtual library design
  •  Protein – protein interaction studies
  •  Compounds prioritization
  •  Pharmacophore guided molecule design
  •  Scaffold hopping
  •  Structure based search
  •  Data search and mining
  •  ‘What-if’ scenario analysis
Our expertise in computational discovery
Success with computation technology requires awareness of not only its strengths but also of the areas where it needs augmentation from other approaches. Being developers of computational technologies, we have proved our expertise by creating IP in 3 NCE classes and 7 new indication discoveries.
Wide diversity of experience
We cater to a variety of sectors and within them, a diversity of areas. e.g. in pharmaceuticals, we have successfully delivered discovery projects in oncology, anti-fungal, diabetes, CNS etc.
State-of-art technology portfolio
Clients benefit from the whole range of VLife's technologies having validated algorithms, published innovations and efficient workflows which are accessible to clients through VLife services.
In-house custom development skills
Generic technologies sometimes are inadequate or inefficient in complex research. For such needs, our in-house team has skills to develop custom technologies ensuring reliable research.
Case studies: VLife services
Dual active antifungals Development of dual active antifungals View
Pharmacophore identification and lead optimization Pharmacophore identification and lead optimization for novel antifungals View
Role of electron donors Role of electron donors in propylene polymerization View
Research services
NCE discovery & optimization
Augment your candidate pipeline
New Indication discovery
For Product Lifecycle Management
Exploring shelf
Creating value from sunk cost
Go - no go decision support
For informed investment decision
Knowledge services
Virtual screening
Focus on what has potential
Protein modeling & docking
Structure based molecule design
QSAR modeling
Ligand based molecule design
Activity/ Tox/ ADME prediction
Early stage knowledge
Technology services
Custom development
Research automation
Idea -> Algorithm -> Software
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