The identification of new metallo-beta-lactamase inhibitor leads from fragment-based screening

Vella, Peter, Hussein, Waleed M., Leung, Eleanor W. W., Clayton, Daniel, Ollis, David L., Schenk, Gerhard and McGeary, Ross P. (2011) The identification of new metallo-beta-lactamase inhibitor leads from fragment-based screening. Bioorganic and Medicinal Chemistry Letters, 21 11: 3282-3285. doi:10.1016/j.bmcl.2011.04.027


Author Vella, Peter
Hussein, Waleed M.
Leung, Eleanor W. W.
Clayton, Daniel
Ollis, David L.
Schenk, Gerhard
McGeary, Ross P.
Title The identification of new metallo-beta-lactamase inhibitor leads from fragment-based screening
Formatted title
The identification of new metallo-β-lactamase inhibitor leads from fragment-based screening
Journal name Bioorganic and Medicinal Chemistry Letters   Check publisher's open access policy
ISSN 0960-894X
1464-3405
Publication date 2011-06-01
Sub-type Article (original research)
DOI 10.1016/j.bmcl.2011.04.027
Volume 21
Issue 11
Start page 3282
End page 3285
Total pages 4
Place of publication Kidlington, Oxford, United Kingdom
Publisher Pergamon
Collection year 2012
Language eng
Formatted abstract
The emergence of metallo-β-lactamases (MBLs) capable of hydrolysing a broad spectrum of β-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™ 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.
Keyword Antibiotics resistance
Fragment-based screening
Molecular docking
Inhibition assays
Metallo-β-lactamases
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: Official 2012 Collection
School of Chemistry and Molecular Biosciences
School of Pharmacy Publications
 
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Created: Thu, 20 Oct 2011, 19:49:08 EST by Waleed Hussein on behalf of School of Chemistry & Molecular Biosciences