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

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 leads to potent MBL...

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Veröffentlicht in:	Journal of medicinal chemistry 2018-02, Vol.61 (3), p.1255-1260
Hauptverfasser:	Cain, Ricky, Brem, Jürgen, Zollman, David, McDonough, Michael A, Johnson, Rachel M, Spencer, James, Makena, Anne, Abboud, Martine I, Cahill, Samuel, Lee, Sook Y, McHugh, Peter J, Schofield, Christopher J, Fishwick, Colin W. G
Format:	Artikel
Sprache:	eng
Schlagworte:	Anti-Bacterial Agents - chemistry Anti-Bacterial Agents - pharmacology beta-Lactamase Inhibitors - chemistry beta-Lactamase Inhibitors - pharmacology beta-Lactamases - chemistry beta-Lactamases - metabolism Computer Simulation Drug Design Drug Evaluation, Preclinical Models, Molecular Protein Conformation Structure-Activity Relationship
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