QSAR analysis of PPAR-gamma agonists as anti-diabetic agents

Eur J Med Chem. 2008 Jan;43(1):73-80. doi: 10.1016/j.ejmech.2007.03.004. Epub 2007 Mar 18.

Abstract

QSAR studies have been performed on some PPAR-gamma agonists using TATA-BioSuite software to identify the essential structural and physico-chemical features for their PPAR-gamma agonistic activity. The 23 compounds were divided into training set of 18 and test set of five compounds using k-nearest neighbor (kNN) clustering. The steric, electronic and topological descriptors were found to have an important role in governing the variation in agonistic activity. The predicted activities by the developed models were in good accordance with the observed activities.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Computational Biology
  • Hypoglycemic Agents / chemistry*
  • Hypoglycemic Agents / pharmacology*
  • PPAR gamma / agonists*
  • Quantitative Structure-Activity Relationship*
  • Reproducibility of Results
  • Software

Substances

  • Hypoglycemic Agents
  • PPAR gamma