Source:http://linkedlifedata.com/resource/pubmed/id/21570309
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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 |
New arylhydrazone derivatives and a series of 1,5-diphenyl pyrazoles were designed and synthesized from 1-(4-chlorophenyl)-4,4,4-trifuorobutane-1,3-dione 1. The newly synthesized compounds were investigated in vivo for their anti-inflammatory activities using carrageenan-induced rat paw oedema model. Moreover, they were tested for their inhibitory activity against ovine COX-1 and COX-2 using an in vitro cyclooxygenase (COX) inhibition assay. Some of the new compounds (2f, 6a and 6d) showed a reasonable in vitro COX-2 inhibitory activity, with IC?? value of 0.45 ?M and selectivity index of 111.1. A virtual screening was carried out through docking the designed compounds into the COX-2 binding site to predict if these compounds have analogous binding mode to the COX-2 inhibitors. Docking study of the synthesized compounds 2f, 6a and 6d into the active site of COX-2 revealed a similar binding mode to SC-558, a selective COX-2 inhibitor.
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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/Anti-Inflammatory Agents,
http://linkedlifedata.com/resource/pubmed/chemical/Cyclooxygenase 1,
http://linkedlifedata.com/resource/pubmed/chemical/Cyclooxygenase 2,
http://linkedlifedata.com/resource/pubmed/chemical/Cyclooxygenase 2 Inhibitors,
http://linkedlifedata.com/resource/pubmed/chemical/Hydrazones,
http://linkedlifedata.com/resource/pubmed/chemical/Pyrazoles,
http://linkedlifedata.com/resource/pubmed/chemical/pyrazole
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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 |
3416-24
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pubmed:meshHeading |
pubmed-meshheading:21570309-Animals,
pubmed-meshheading:21570309-Anti-Inflammatory Agents,
pubmed-meshheading:21570309-Binding Sites,
pubmed-meshheading:21570309-Computer Simulation,
pubmed-meshheading:21570309-Cyclooxygenase 1,
pubmed-meshheading:21570309-Cyclooxygenase 2,
pubmed-meshheading:21570309-Cyclooxygenase 2 Inhibitors,
pubmed-meshheading:21570309-Disease Models, Animal,
pubmed-meshheading:21570309-Drug Design,
pubmed-meshheading:21570309-Edema,
pubmed-meshheading:21570309-Hydrazones,
pubmed-meshheading:21570309-Pyrazoles,
pubmed-meshheading:21570309-Rats
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pubmed:year |
2011
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pubmed:articleTitle |
Design, synthesis, and biological evaluation of substituted hydrazone and pyrazole derivatives as selective COX-2 inhibitors: Molecular docking study.
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pubmed:affiliation |
Department of Pharmaceutical Organic Chemistry, Faculty of Pharmacy, University of Mansoura, Mansoura 35516, Egypt.
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pubmed:publicationType |
Journal Article,
Research Support, Non-U.S. Gov't
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