The Molecular Basis of COX-2 Versus COX-1 Selectivity of Lumiracoxib by Molecular Docking Studies
Celia M. Correa,
Andre F. de Paula,
Gilberto M.S. da Silva,
Carlos M.R. Sant'Anna,
Carlos A. M. Fraga,
Eliezer J. Barreiro.
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.
Keywords: Cyclooxygenase-1, Cyclooxigenase-2, Molecular docking, NSAID's, Lumiracoxib, Diclofenac
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