NSAIDs revisited: putative molecular basis of their interactions with peroxisome proliferator-activated gamma receptor (PPARgamma).
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.
Romeiro
Nelilma C
NC
LASSBio--Laboratório de Avaliação e Síntese de Substâncias Bioativas, Faculdade de Farmácia, Universidade Federal do Rio de Janeiro (UFRJ), P.O. Box 68006, 21941-902 Rio de Janeiro, RJ, Brazil. ncorrea@pharma.ufrj.br
Sant'Anna
Carlos M R
CM
Lima
Lidia M
LM
Fraga
Carlos A M
CA
Barreiro
Eliezer J
EJ
D000894:Anti-Inflammatory Agents, Non-Steroidal / Q000737:chemistry / Q000378:metabolism*; D020134:Catalytic Domain; D019295:Computational Biology; D015195:Drug Design; D008024:Ligands; D008958:Models, Molecular; D047495:PPAR gamma / Q000737:chemistry / Q000378:metabolism*; D011487:Protein Conformation; D012984:Software
D000894:Anti-Inflammatory Agents, Non-Steroidal; D008024:Ligands; D047495:PPAR gamma