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rdf:type |
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lifeskim:mentions |
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pubmed:issue |
14
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pubmed:dateCreated |
2008-7-21
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pubmed:abstractText |
Multiple inhibitors of the antibacterial target, Staphylococcus aureus MetRS, were identified by virtual screening. The process consisted of building a Catalyst pharmacophore from a ligand-S. aureus MetRS structure and using this pharmacophore to screen a commercial database. The top hits from this search were then docked into the S. aureus MetRS structure and this information was used to select compounds for testing. This resulted in a high hit rate of compounds that are in distinct structural classes from the known MetRS ligands.
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pubmed:grant |
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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 |
Jul
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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 |
15
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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 |
3932-7
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pubmed:meshHeading |
pubmed-meshheading:18590962-Amino Acyl-tRNA Synthetases,
pubmed-meshheading:18590962-Anti-Infective Agents,
pubmed-meshheading:18590962-Binding Sites,
pubmed-meshheading:18590962-Chemistry, Pharmaceutical,
pubmed-meshheading:18590962-Drug Design,
pubmed-meshheading:18590962-Enzyme Inhibitors,
pubmed-meshheading:18590962-Ligands,
pubmed-meshheading:18590962-Methionine-tRNA Ligase,
pubmed-meshheading:18590962-Models, Chemical,
pubmed-meshheading:18590962-Molecular Conformation,
pubmed-meshheading:18590962-Molecular Structure,
pubmed-meshheading:18590962-Staphylococcus aureus,
pubmed-meshheading:18590962-Structure-Activity Relationship
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pubmed:year |
2008
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pubmed:articleTitle |
Identification of novel inhibitors of methionyl-tRNA synthetase (MetRS) by virtual screening.
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pubmed:affiliation |
Trius Therapeutics, R&D, 6310 Nancy Ridge Drive, Suite 101, San Diego, CA 92121, USA. jfinn@triusrx.com
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pubmed:publicationType |
Journal Article,
Research Support, N.I.H., Extramural
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