The Molecular Basis of COX-2 Versus COX-1 Selectivity of Lumiracoxib by Molecular Docking Studies

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:

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.

Cite this article as:

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 , The Molecular Basis of COX-2 Versus COX-1 Selectivity of Lumiracoxib by Molecular Docking Studies, Letters in Drug Design & Discovery 2007; 4(6) . https://dx.doi.org/10.2174/157018007781387737