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デザイン

Leveraging on our strength in Medicinal and Computational Chemistry, we design and synthesize lead-like, drug-like fragments and molecule libraries to enrich the chemical space of our client’s compound repository. Apart from de novo, we also work on the design of target-based scaffolds and libraries.

  • Target-based
    • Kinases/GPCRs/Ion-channel/Nuclear receptors
    • Docking studies – designs done through docking to understand the interactions
    • Design of molecules filtered on the basis of Lipinski Filters
    • Segregation as drug-like, lead-like molecules, etc.
  • de novo libraries
    • Libraries on novel scaffolds
    • In-house virtual libraries
  • Fragment-based
    • Libraries of small molecules (molecular weight < 300)
    • Testing based on target