Building a pharmacophore model for a novel class of antitubercular compounds

Farmaco. 2000 Jun-Jul;55(6-7):484-91. doi: 10.1016/s0014-827x(00)00072-0.

Abstract

Starting from a set of 32 antitubercular compounds, for the first time a three-dimensional pharmacophore model has been derived through a computational approach based on CATALYST software. The model proved to be able to identify compounds belonging to classes of molecules already reported as antitubercular agents.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Antitubercular Agents / chemistry*
  • Antitubercular Agents / pharmacology
  • Computational Biology
  • Crystallography, X-Ray
  • Models, Molecular
  • Molecular Conformation
  • Structure-Activity Relationship

Substances

  • Antitubercular Agents