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rdf:type |
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lifeskim:mentions |
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pubmed:issue |
6
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pubmed:dateCreated |
2011-3-14
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pubmed:abstractText |
Cyclooxygenase-1/2 (COX-1/2) and 5-lipoxygenase (5-LOX) are enzymes in two different pathways in the inflammatory process. In the present study, a variety of new nimesulide derivatives were synthesized through incorporation of a 5-LOX pharmacophore into nimesulide followed with some structural modifications, which were then characterized for dual enzyme inhibitors for these two types of enzymes. Their structure-activity relationships (SARs) were studied, and compound 20f was found to be an excellent dual enzyme inhibitor. Its binding conformation and interaction mode were studied with molecular docking experiments. Compound 20f could become a lead compound for further development for potential anti-inflammatory drugs.
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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 |
Mar
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pubmed:issn |
1464-3391
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pubmed:author |
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pubmed:copyrightInfo |
Copyright © 2011 Elsevier Ltd. All rights reserved.
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pubmed:issnType |
Electronic
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pubmed:day |
15
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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 |
2074-83
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pubmed:meshHeading |
pubmed-meshheading:21349729-Anti-Inflammatory Agents,
pubmed-meshheading:21349729-Arachidonate 5-Lipoxygenase,
pubmed-meshheading:21349729-Benzoates,
pubmed-meshheading:21349729-Binding Sites,
pubmed-meshheading:21349729-Computer Simulation,
pubmed-meshheading:21349729-Cyclooxygenase 1,
pubmed-meshheading:21349729-Cyclooxygenase 2,
pubmed-meshheading:21349729-Cyclooxygenase Inhibitors,
pubmed-meshheading:21349729-Lipoxygenase Inhibitors,
pubmed-meshheading:21349729-Structure-Activity Relationship,
pubmed-meshheading:21349729-Sulfonamides
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pubmed:year |
2011
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pubmed:articleTitle |
Syntheses and characterization of nimesulide derivatives for dual enzyme inhibitors of both cyclooxygenase-1/2 and 5-lipoxygenase.
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pubmed:affiliation |
School of Pharmaceutical Sciences, Sun Yat-Sen University, Guangzhou 510006, People's Republic of China.
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pubmed:publicationType |
Journal Article,
Research Support, Non-U.S. Gov't
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