Source:http://linkedlifedata.com/resource/pubmed/id/17604633
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Predicate | Object |
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rdf:type | |
lifeskim:mentions | |
pubmed:issue |
18
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pubmed:dateCreated |
2007-7-30
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pubmed:abstractText |
Coronary heart disease (CHD) is one of the major causes of human death. The most successful therapeutic approach available is based on the reduction of low density-lipoprotein cholesterol (LDL-C). However, it is believed that the next paradigm in CHD treatment will rely on increased HDL-C levels. One of the most promising strategies for this goal is the inhibition of cholesteryl ester transfer protein (CETP). In the present work, robust classical 2D QSAR (r(2)=0.76, q(2)=0.72) and hologram QSAR (r(2)=0.88, q(2)=0.70) models were developed for a series of 85 CETP inhibitors (N-N-disubstituted trifluoro-3-amino-2-propanol derivatives). These models are complementary in nature and highlight important structural features for the design of novel CETP inhibitors with improved potency.
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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/1-Propanol,
http://linkedlifedata.com/resource/pubmed/chemical/Cholesterol Ester Transfer Proteins,
http://linkedlifedata.com/resource/pubmed/chemical/Cholesterol Esters,
http://linkedlifedata.com/resource/pubmed/chemical/Lipoproteins, HDL,
http://linkedlifedata.com/resource/pubmed/chemical/Lipoproteins, LDL
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pubmed:status |
MEDLINE
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pubmed:month |
Sep
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pubmed:issn |
0968-0896
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pubmed:author | |
pubmed:issnType |
Print
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pubmed:day |
15
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pubmed:volume |
15
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
6242-52
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pubmed:meshHeading |
pubmed-meshheading:17604633-1-Propanol,
pubmed-meshheading:17604633-Cholesterol Ester Transfer Proteins,
pubmed-meshheading:17604633-Cholesterol Esters,
pubmed-meshheading:17604633-Lipoproteins, HDL,
pubmed-meshheading:17604633-Lipoproteins, LDL,
pubmed-meshheading:17604633-Models, Molecular,
pubmed-meshheading:17604633-Molecular Structure,
pubmed-meshheading:17604633-Quantitative Structure-Activity Relationship,
pubmed-meshheading:17604633-Stereoisomerism,
pubmed-meshheading:17604633-Structure-Activity Relationship
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pubmed:year |
2007
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pubmed:articleTitle |
2D Quantitative structure-activity relationship studies on a series of cholesteryl ester transfer protein inhibitors.
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pubmed:affiliation |
Laboratório de Bioinformática e Modelagem Molecular, Faculdade de Farmácia, Universidade Federal da Bahia, Campus Universitário de Ondina, 40170-290 Salvador, BA, Brazil. castilho@ufba.br
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pubmed:publicationType |
Journal Article
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