Source:http://linkedlifedata.com/resource/pubmed/id/17154507
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Predicate | Object |
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rdf:type | |
lifeskim:mentions | |
pubmed:issue |
23
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pubmed:dateCreated |
2006-12-12
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pubmed:abstractText |
A collection of 2150 druggable active sites from the Protein Data Bank was screened by high-throughput docking to identify putative targets for five representative molecules of a combinatorial library sharing a 1,3,5-triazepan-2,6-dione scaffold. Five targets were prioritized for experimental evaluation by computing enrichment in individual protein entries among the top 2% scoring targets. Out of the five proposed proteins, secreted phospholipase A2 (sPLA2) was shown to be a true target for a panel of 1,3,5-triazepan-2,6-diones which exhibited micromolar affinities toward two human sPLA2 members.
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pubmed:language |
eng
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pubmed:journal | |
pubmed:citationSubset |
IM
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pubmed:chemical | |
pubmed:status |
MEDLINE
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pubmed:month |
Nov
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pubmed:issn |
0022-2623
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pubmed:author | |
pubmed:issnType |
Print
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pubmed:day |
16
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pubmed:volume |
49
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
6768-78
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pubmed:dateRevised |
2007-11-15
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pubmed:meshHeading |
pubmed-meshheading:17154507-Azepines,
pubmed-meshheading:17154507-Binding Sites,
pubmed-meshheading:17154507-Combinatorial Chemistry Techniques,
pubmed-meshheading:17154507-Databases, Factual,
pubmed-meshheading:17154507-Databases, Protein,
pubmed-meshheading:17154507-Enzyme Inhibitors,
pubmed-meshheading:17154507-Escherichia coli,
pubmed-meshheading:17154507-Humans,
pubmed-meshheading:17154507-Models, Molecular,
pubmed-meshheading:17154507-Phospholipases A,
pubmed-meshheading:17154507-Phospholipases A2,
pubmed-meshheading:17154507-Structure-Activity Relationship
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pubmed:year |
2006
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pubmed:articleTitle |
In silico-guided target identification of a scaffold-focused library: 1,3,5-triazepan-2,6-diones as novel phospholipase A2 inhibitors.
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pubmed:affiliation |
Bioinformatics of the Drug, CNRS UMR 7175, F-67400 Illkirch, and Immunologie et Chimie Thérapeutiques, CNRS UPR 9021, Institut de Biologie Moléculaire et Cellulaire (IBMC), F-67084 Strasbourg Cedex, France.
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pubmed:publicationType |
Journal Article,
Research Support, Non-U.S. Gov't
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