期刊
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
卷 21, 期 11, 页码 3282-3285出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.bmcl.2011.04.027
关键词
Antibiotics resistance; Fragment-based screening; Molecular docking; Inhibition assays; Metallo-beta-lactamases
资金
- National Health and Medical Research Council of Australia [631443]
The emergence of metallo-beta-lactamases (MBLs) capable of hydrolysing a broad spectrum of beta-lactam antibiotics is particularly concerning for the future treatment of bacterial infections. This work describes the discovery of lead compounds for the development of new inhibitors using a competitive colorimetric assay based on the chromogenic cephalosporin CENTA, and a 500 compound Maybridge T library suitable for fragment-based screening. The interactions between identified inhibitory fragments and the active site of the MBL from Klebsiella pneumoniae and Pseudomonas aeruginosa were probed by in silico docking studies. (C) 2011 Elsevier Ltd. All rights reserved.
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