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Various potent anti-cancer compounds, defined as group A, B, D, and YC-1 derivatives, were recruited for the simulation trails of selective inhibition to human cyclooxygenase-2 (COX-2). From our modeling, Leu530 and Ile522 would lead to the COX-1 binding site with a tunnel-like configuration. Compounds of group B would be suitable in the lobby of COX-1. In contract, the larger compounds, group A,...
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