Letters in Drug Design & Discovery

G. Perry
University of Texas
San Antonio, TX
USA
Email: lddd@benthamscience.org

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

Author(s): Celia M. Correa, Andre F. de Paula, Gilberto M.S. da Silva, Carlos M.R. Sant'Anna, Carlos A. M. Fraga, Eliezer J. Barreiro.

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.

Keywords: Cyclooxygenase-1, Cyclooxigenase-2, Molecular docking, NSAID's, Lumiracoxib, Diclofenac

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Article Details

VOLUME: 4
ISSUE: 6
Year: 2007
Page: [422 - 425]
Pages: 4
DOI: 10.2174/157018007781387737
Price: $58