Source:http://linkedlifedata.com/resource/pubmed/id/21550257
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rdf:type | |
lifeskim:mentions | |
pubmed:issue |
11
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pubmed:dateCreated |
2011-5-25
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pubmed:abstractText |
3-Hydroxy-3-methylglutaryl coenzyme A reductase (class II HMGR) could serve as a potential target to discover drugs fighting against the invasive diseases originated from Streptococcus pneumoniae, one of the major causes of bacterial disease in human. However, no strongly effective inhibitors of class II HMGR have been found so far. In the present study, for the first time, four annonaceous acetogenins (ACGs) were explored for the inhibition on S. pneumoniae HMGR. The results showed that the ACGs had higher inhibitory activities against S. pneumoniae HMGR with K(i) values in the range of 6.45-20.49 ?M than the statin drug lovastatin (K(i)=116.25 ?M), a classical inhibitor of class I HMGR. Then, three-dimensional modeling and docking simulations analyzed the possible binding mode of ACGs to S. pneumoniae HMGR and suggested a kind of novel structural and binding mode for designing promising inhibitor candidates of the targeted enzyme S. pneumoniae II HMGR.
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pubmed:language |
eng
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pubmed:journal | |
pubmed:citationSubset |
IM
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pubmed:chemical |
http://linkedlifedata.com/resource/pubmed/chemical/Acetogenins,
http://linkedlifedata.com/resource/pubmed/chemical/Hydroxymethylglutaryl CoA Reductases,
http://linkedlifedata.com/resource/pubmed/chemical/Hydroxymethylglutaryl-CoA...,
http://linkedlifedata.com/resource/pubmed/chemical/Recombinant Proteins
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pubmed:status |
MEDLINE
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pubmed:month |
Jun
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pubmed:issn |
1464-3391
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pubmed:author | |
pubmed:copyrightInfo |
Copyright © 2011 Elsevier Ltd. All rights reserved.
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pubmed:issnType |
Electronic
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pubmed:day |
1
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pubmed:volume |
19
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
3512-9
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pubmed:meshHeading |
pubmed-meshheading:21550257-Acetogenins,
pubmed-meshheading:21550257-Amino Acid Sequence,
pubmed-meshheading:21550257-Binding Sites,
pubmed-meshheading:21550257-Computer Simulation,
pubmed-meshheading:21550257-Hydroxymethylglutaryl CoA Reductases,
pubmed-meshheading:21550257-Hydroxymethylglutaryl-CoA Reductase Inhibitors,
pubmed-meshheading:21550257-Kinetics,
pubmed-meshheading:21550257-Molecular Sequence Data,
pubmed-meshheading:21550257-Protein Structure, Tertiary,
pubmed-meshheading:21550257-Recombinant Proteins,
pubmed-meshheading:21550257-Sequence Alignment,
pubmed-meshheading:21550257-Sequence Homology, Amino Acid,
pubmed-meshheading:21550257-Streptococcus pneumoniae
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pubmed:year |
2011
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pubmed:articleTitle |
Specific inhibitions of annonaceous acetogenins on class II 3-hydroxy-3-methylglutaryl coenzyme A reductase from Streptococcus pneumoniae.
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pubmed:affiliation |
Key Laboratory of Pesticide & Chemical Biology (CCNU), Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, PR China. fll708@mail.ccnu.edu.cn
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pubmed:publicationType |
Journal Article,
Research Support, Non-U.S. Gov't
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