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rdf:type |
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lifeskim:mentions |
umls-concept:C0243077,
umls-concept:C0392762,
umls-concept:C0439849,
umls-concept:C0441655,
umls-concept:C0450363,
umls-concept:C0678594,
umls-concept:C0887819,
umls-concept:C0936012,
umls-concept:C1415615,
umls-concept:C1521991,
umls-concept:C1637833,
umls-concept:C2348205,
umls-concept:C2603343
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pubmed:issue |
4
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pubmed:dateCreated |
2005-2-2
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pubmed:abstractText |
A comparative molecular similarity indices analysis (CoMSIA) of a set of 29 imidazolyl and N-pyrrolyl heptenoates have been performed to find out the structural requirements for 3-hydroxy-3-methylglutaryl-CoA reductase (HMGR) inhibitory activity. The HMG like side chain, a common moiety of statins, was used to align the molecules. The results guide to design new chemical entities with high potency.
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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 |
Feb
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pubmed:issn |
0960-894X
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pubmed:author |
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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 |
1027-32
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pubmed:dateRevised |
2006-11-15
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pubmed:meshHeading |
pubmed-meshheading:15686906-Binding Sites,
pubmed-meshheading:15686906-Crystallography, X-Ray,
pubmed-meshheading:15686906-Heptanoic Acids,
pubmed-meshheading:15686906-Humans,
pubmed-meshheading:15686906-Hydroxymethylglutaryl CoA Reductases,
pubmed-meshheading:15686906-Hydroxymethylglutaryl-CoA Reductase Inhibitors,
pubmed-meshheading:15686906-Imidazoles,
pubmed-meshheading:15686906-Inhibitory Concentration 50,
pubmed-meshheading:15686906-Models, Molecular,
pubmed-meshheading:15686906-Protein Conformation,
pubmed-meshheading:15686906-Pyrroles,
pubmed-meshheading:15686906-Quantitative Structure-Activity Relationship
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pubmed:year |
2005
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pubmed:articleTitle |
Three-dimensional quantitative structure (3-D QSAR) activity relationship studies on imidazolyl and N-pyrrolyl heptenoates as 3-hydroxy-3-methylglutaryl-CoA reductase (HMGR) inhibitors by comparative molecular similarity indices analysis (CoMSIA).
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pubmed:affiliation |
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Sector 67, S. A. S. Nagar, Punjab 160 062, India.
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pubmed:publicationType |
Journal Article,
Research Support, Non-U.S. Gov't
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