Source:http://linkedlifedata.com/resource/pubmed/id/19691347
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Predicate | Object |
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rdf:type | |
lifeskim:mentions | |
pubmed:issue |
17
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pubmed:dateCreated |
2009-9-3
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pubmed:abstractText |
This work describes an integrated approach of de novo drug design, chemical synthesis, and bioassay for quick identification of a series of novel small molecule cyclophilin A (CypA) inhibitors (1-3). The activities of the two most potent CypA inhibitors (3h and 3i) are 2.59 and 1.52 nM, respectively, which are about 16 and 27 times more potent than that of cyclosporin A. This study clearly demonstrates the power of our de novo drug design strategy and the related program LigBuilder 2.0 in drug discovery.
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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 |
Sep
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pubmed:issn |
1520-4804
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pubmed:author | |
pubmed:issnType |
Electronic
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pubmed:day |
10
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pubmed:volume |
52
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
5295-8
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pubmed:meshHeading |
pubmed-meshheading:19691347-Cyclophilin A,
pubmed-meshheading:19691347-Drug Design,
pubmed-meshheading:19691347-Enzyme Inhibitors,
pubmed-meshheading:19691347-Inhibitory Concentration 50,
pubmed-meshheading:19691347-Models, Molecular,
pubmed-meshheading:19691347-Protein Conformation,
pubmed-meshheading:19691347-Software
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pubmed:year |
2009
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pubmed:articleTitle |
Discovering potent small molecule inhibitors of cyclophilin A using de novo drug design approach.
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pubmed:affiliation |
School of Pharmacy, East China University of Science and Technology, Shanghai, China.
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pubmed:publicationType |
Journal Article,
Research Support, Non-U.S. Gov't
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