Source:http://linkedlifedata.com/resource/pubmed/id/19046675
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rdf:type | |
lifeskim:mentions | |
pubmed:issue |
1
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pubmed:dateCreated |
2008-12-2
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pubmed:abstractText |
In this study, the quantitative structure-activity relationship (QSAR) of a series of 2-aminothiazole based Lck inhibitors was investigated. The key structural features responsible for the inhibition activities were discussed in detail. A population of 100 rigorously validated linear QSAR models were established based on the descriptors calculated in DRAGON program and selected by genetic algorithm (GA). A total of 36 descriptors were involved in all the QSAR models. Then the common descriptors appeared in all the models were extracted to build the final QSAR model. As a result, the final 8-parameter QSAR model was established. After analysis of the eight descriptors, some advice was proposed to help the design of possible novel inhibitors with higher bioactivity.
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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 |
Jan
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pubmed:issn |
1873-4324
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pubmed:author | |
pubmed:issnType |
Electronic
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pubmed:day |
5
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pubmed:volume |
631
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
29-39
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pubmed:dateRevised |
2009-11-19
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pubmed:meshHeading |
pubmed-meshheading:19046675-Algorithms,
pubmed-meshheading:19046675-Artificial Intelligence,
pubmed-meshheading:19046675-Enzyme Inhibitors,
pubmed-meshheading:19046675-Genetics,
pubmed-meshheading:19046675-Linear Models,
pubmed-meshheading:19046675-Lymphocyte Specific Protein Tyrosine Kinase p56(lck),
pubmed-meshheading:19046675-Quantitative Structure-Activity Relationship,
pubmed-meshheading:19046675-Reproducibility of Results,
pubmed-meshheading:19046675-Thiazoles
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pubmed:year |
2009
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pubmed:articleTitle |
Validated quantitative structure-activity relationship analysis of a series of 2-aminothiazole based p56(Lck) inhibitors.
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pubmed:affiliation |
Department of Chemistry, Lanzhou University, Lanzhou 730000, China.
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pubmed:publicationType |
Journal Article,
Research Support, Non-U.S. Gov't
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