Rationale for the observed COX-2/COX-1 selectivity of celecoxib from Monte Carlo simulations

Rationale for the observed COX-2/COX-1 selectivity of celecoxib from Monte Carlo simulations Design and Synthesis of Celecoxib and Rofecoxib Analogues as Selective Cyclooxygenase-2 (COX-2) Inhibitors:  Replacement of Sulfonamide and Methylsulfonyl Pharmacophores by an Azido Bioisostere Molecular Determinants for the Selective Inhibition of Cyclooxygenase-2 by Lumiracoxib Structure-based design of COX-2 selectivity into flurbiprofen Carbonic anhydrase inhibitors: Valdecoxib binds to a different active site region of the human isoform II as compared to the structurally related cyclooxygenase II ‘selective’ inhibitor celecoxib The 2′-Trifluoromethyl Analogue of Indomethacin Is a Potent and Selective COX-2 Inhibitor Polar substitutions in the benzenesulfonamide ring of celecoxib afford a potent 1,5-diarylpyrazole class of COX-2 inhibitors Unexpected Nanomolar Inhibition of Carbonic Anhydrase by COX-2-Selective Celecoxib:  New Pharmacological Opportunities Due to Related Binding Site Recognition The molecular basis for coxib inhibition of p38α MAP kinase Design and synthesis of new 2,4,5-triarylimidazole derivatives as selective cyclooxygenase (COX-2) inhibitors