NSAIDs revisited: putative molecular basis of their interactions with peroxisome proliferator-activated gamma receptor (PPARgamma)

Eur J Med Chem. 2008 Sep;43(9):1918-25. doi: 10.1016/j.ejmech.2007.11.031. Epub 2007 Dec 14.

Abstract

This paper describes molecular docking studies of a series of classical NSAIDs with PPARgamma receptor, which has been pointed as a new target for the design of anti-cancer and anti-inflammatory drugs, and has been found to be responsible for some of the already established pharmacological effects observed for marketed drugs. The results show the molecular basis of PPARgamma activation by non-selective COX inhibitors.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Anti-Inflammatory Agents, Non-Steroidal / chemistry
  • Anti-Inflammatory Agents, Non-Steroidal / metabolism*
  • Catalytic Domain
  • Computational Biology
  • Drug Design
  • Ligands
  • Models, Molecular
  • PPAR gamma / chemistry
  • PPAR gamma / metabolism*
  • Protein Conformation
  • Software

Substances

  • Anti-Inflammatory Agents, Non-Steroidal
  • Ligands
  • PPAR gamma