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Strategic targeting of multiple water-mediated interactions : a concise and rational structure-based design approach to potent and selective MMP-13 inhibitors

Abstract

Water in the architecture of life: Potent and selective matrix metalloproteinase-13 (MMP-13) inhibitors were rationally designed by targeting multiple water-mediated interactions between the target protein and small-molecule inhibitors. This structure-based design concept offers tremendous opportunities for the discovery of unique small molecules with tailored biological activity

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