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Design of Small Focused Libraries
We design as well as synthesise small focused libraries of NCEs using our expertise in computational and medicinal chemistry. These rationally designed libraries can be successfully employed for hit/lead identification as well as for lead optimisation. While designing such focused libraries, their potential for generating intellectual property is given prime importance. It is ensured that all the molecules within developed library fall within lead/drug-like space, so as to reduce late stage attrition rate.

For designing NCEs, we offer following services:
  • Structure based methods:
    Employing 3D-strcuture of target protein obtained either through X-ray crystallography or homology modeling, we undertake SBDD by employing various computational methods like de novo design, virtual screening, active-site mapping, structure-based pharmacophore development.

  • Ligand based methods:
    Utilising various contemporary methods in the field like pharmacophore generation, scaffold-hopping, QSAR analysis and in silico screening, we help you design NCEs towards specific targets.

  • For accelerating your drug discovery process, we also undertake the synthesis of designed libraries in milligram to gram scale. We ensure high purity standards for synthesised compounds (≥ 98%), so that they could directly be used further for in vitro evaluation. Synthesis of combinatorial libraries required for hit identification and lead optimisation is also undertaken.