Articles with "silico fragment" as a keyword



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In Silico Fragment-Based Design Identifies Subfamily B1 Metallo-β-lactamase Inhibitors.

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Published in 2018 at "Journal of medicinal chemistry"

DOI: 10.1021/acs.jmedchem.7b01728

Abstract: Zinc ion-dependent β-lactamases (MBLs) catalyze the hydrolysis of almost all β-lactam antibiotics and resist the action of clinically available β-lactamase inhibitors. We report how application of in silico fragment-based molecular design employing thiol-mediated metal anchorage… read more here.

Keywords: lactamase inhibitors; mbl; fragment based; silico fragment ... See more keywords