Title: The Molecular Basis of COX-2 Versus COX-1 Selectivity of Lumiracoxib by Molecular Docking Studies
VOLUME: 4 ISSUE: 6
Author(s): Celia M. Correa, Andre F. de Paula, Gilberto M.S. da Silva, Carlos M.R. Sant'Anna, Carlos A. M. Fraga and Eliezer J. Barreiro
Affiliation:Laboratorio de Avaliacao e Sintese de Substancias Bioativas (LASSBio), Faculdade de Farmacia, Universidade Federal do Rio de Janeiro, P.O. Box 68006, Rio de Janeiro,RJ, ZIP 21944-971, Brazil.
Keywords:Cyclooxygenase-1, Cyclooxigenase-2, Molecular docking, NSAID's, Lumiracoxib, Diclofenac
Abstract: A molecular rational basis for the COX-2/COX-1 selectivity of lumiracoxib using molecular docking approach is described. The COX-2 docking analysis for lumiracoxib and the diclofenac analogue revealed a similar binding mode, in contrast with the COX-1 docking analysis which revealed a different binding orientation for both inhibitors.
