Molecular design based on 3D pharmacophores. Applications to 5-HT7 receptors

J Chem Inf Comput Sci. 2004 May-Jun;44(3):1148-52. doi: 10.1021/ci030036l.

Abstract

A definition of a pharmacophore for the 5-HT7 antagonists was carried out by searching the common chemical features of selective antagonists from the literature. A molecular design is described by analyzing the differences between this new pharmacophore and three other 3D serotonin pharmacophores previously described. This comparison led to the synthesis of a new series of potent 5-HT7 antagonists.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Models, Molecular
  • Protein Conformation
  • Receptors, Serotonin / chemistry*

Substances

  • Receptors, Serotonin
  • serotonin 7 receptor