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Bioorg Med Chem Lett. 2008 Jan 1;18(1):380-5. Epub 2007 Oct 18.

Identification of novel inhibitors of bacterial surface enzyme Staphylococcus aureus Sortase A.

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1
Department of Chemistry, University of Alabama at Birmingham, 901 14th Street South, Birmingham, AL 35294, USA.

Abstract

In-silico virtual screening of bacterial surface enzyme Staphylococcus aureus Sortase A against commercial compound libraries using FlexX software package has led to the identification of novel inhibitors. Inhibition of enzyme catalytic activity was determined by monitoring the steady state cleavage of a model peptide substrate. Preliminary structure activity relationship studies on the lead compound resulted in the identification of compounds with improved activity. The most active compound has an IC50 value of 58 microM against the enzyme.

PMID:
18023345
DOI:
10.1016/j.bmcl.2007.10.051
[Indexed for MEDLINE]
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