We have excellent capability and resources to employ these powerful Computer Aided Drug Design strategies for the Hit-to-Lead identification, and Lead optimization. We have small molecule database that comprises several millions of non redundant molecules and diverse scaffolds. Since virtual drug screening involves enormous chemical space, we filter down the conceivable compounds to a manageable number that can be synthesized, purchased, and tested to reduce the time & cost. We have excellent filtering schemes to achieve this task; database are separated into a target specific ligands, fragments and scaffolds which provide the opportunity for fragment based de novo design. Several powerful filters include rule-of-five, physico-chemical, reactive, metal, toxic, and ADME-T/PK. In addition, we have developed library from natural products and their derivatives. Natural products have historically been invaluable as the resources in the drug leads discovery. The studies on natural products have provided the clues for drug re-modeling and re-design with the reduced side effect and increased success rate through FDA regulatory process.

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