3D-QSAR studies of some [[1-aryl(or benzyl)-1-(benzenesulphonamido)methyl] phenyl] alkanoic acid derivatives as thromboxane A2 receptor antagonists

Drug Des Discov. 2003;18(2-3):47-51.

Abstract

Thromboxane A(2) receptor antagonists have attracted much attention in recent times in the design of new agents that could be active against diseases such as thrombosis, asthma and myocardial ischemia. 3D-QSAR studies have been performed on a series of [[1-aryl(or benzyl)-1-(benzenesulphonamido)methyl] phenyl] alkanoic acid derivatives by using the receptor surface analysis (RSA) method. The RSA analysis was carried out on 31 analogues of which 25 were used in the training set and the rest considered for the test set. This study produced reasonably good predictive models with good cross-validated and conventional r(2) values in both the models.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Benzene Derivatives / chemistry*
  • Carboxylic Acids / chemistry*
  • Models, Molecular
  • Quantitative Structure-Activity Relationship
  • Receptors, Thromboxane A2, Prostaglandin H2 / antagonists & inhibitors*
  • Receptors, Thromboxane A2, Prostaglandin H2 / chemistry*
  • Sulfonamides / chemistry*

Substances

  • Benzene Derivatives
  • Carboxylic Acids
  • Receptors, Thromboxane A2, Prostaglandin H2
  • Sulfonamides