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rdf:type |
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lifeskim:mentions |
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pubmed:issue |
1
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pubmed:dateCreated |
2008-1-9
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pubmed:abstractText |
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.
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pubmed:language |
eng
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pubmed:journal |
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pubmed:citationSubset |
IM
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pubmed:chemical |
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pubmed:status |
MEDLINE
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pubmed:month |
Jan
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pubmed:issn |
1464-3405
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pubmed:author |
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pubmed:issnType |
Electronic
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pubmed:day |
1
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pubmed:volume |
18
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
380-5
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pubmed:meshHeading |
pubmed-meshheading:18023345-Aminoacyltransferases,
pubmed-meshheading:18023345-Anti-Bacterial Agents,
pubmed-meshheading:18023345-Bacterial Proteins,
pubmed-meshheading:18023345-Cysteine Endopeptidases,
pubmed-meshheading:18023345-Cysteine Proteinase Inhibitors,
pubmed-meshheading:18023345-Fluorescence Resonance Energy Transfer,
pubmed-meshheading:18023345-Furans,
pubmed-meshheading:18023345-Inhibitory Concentration 50,
pubmed-meshheading:18023345-Microbial Sensitivity Tests,
pubmed-meshheading:18023345-Models, Molecular,
pubmed-meshheading:18023345-Morpholines,
pubmed-meshheading:18023345-Staphylococcus aureus,
pubmed-meshheading:18023345-Structure-Activity Relationship,
pubmed-meshheading:18023345-Thiophenes
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pubmed:year |
2008
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pubmed:articleTitle |
Identification of novel inhibitors of bacterial surface enzyme Staphylococcus aureus Sortase A.
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pubmed:affiliation |
Department of Chemistry, University of Alabama at Birmingham, 901 14th Street South, Birmingham, AL 35294, USA.
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pubmed:publicationType |
Journal Article,
Research Support, Non-U.S. Gov't
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