Pharmacophore modeling in drug discovery and development: an overview.

  title={Pharmacophore modeling in drug discovery and development: an overview.},
  author={Santosh A. Khedkar and Alpeshkumar K. Malde and Evans C. Coutinho and Sudha Srivastava},
  journal={Medicinal chemistry (Shariqah (United Arab Emirates))},
  volume={3 2},
Pharmacophore mapping is one of the major elements of drug design in the absence of structural data of the target receptor. The tool initially applied to discovery of lead molecules now extends to lead optimization. Pharmacophores can be used as queries for retrieving potential leads from structural databases (lead discovery), for designing molecules with specific desired attributes (lead optimization), and for assessing similarity and diversity of molecules using pharmacophore fingerprints. It… CONTINUE READING

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