Abstract
In order to develop new selective cyclooxygenase-2 inhibitors, a series of novel 2-aryl-3-(4-sulfamoyl/methylsulfonylphenylamino)-4-thiazolidinones were designed. Molecular modeling studies with COX-2 enzyme were performed by using MOE program. The designed compounds with reasonable binding modes and high docking scores were synthesized. Their COX-1/COX-2 inhibitory activities were evaluated in vitro, using NS-398 and indomethacine as reference compounds. Compounds possessing methyl group (3d and 4d) on the phenyl ring exhibited highly COX-2 inhibitory selectivity and potency.
Copyright © 2012 Elsevier Masson SAS. All rights reserved.
Publication types
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Research Support, Non-U.S. Gov't
MeSH terms
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Animals
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Anti-Inflammatory Agents, Non-Steroidal / chemical synthesis*
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Anti-Inflammatory Agents, Non-Steroidal / chemistry
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Cyclooxygenase 1 / chemistry
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Cyclooxygenase 2 / chemistry*
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Cyclooxygenase 2 Inhibitors / chemical synthesis*
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Cyclooxygenase 2 Inhibitors / chemistry
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Humans
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Indomethacin / chemistry
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Magnetic Resonance Spectroscopy
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Molecular Docking Simulation
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Nitrobenzenes / chemistry
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Recombinant Proteins / antagonists & inhibitors
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Recombinant Proteins / chemistry
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Sheep
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Structure-Activity Relationship
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Sulfonamides / chemistry
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Thiazolidines / chemical synthesis*
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Thiazolidines / chemistry
Substances
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Anti-Inflammatory Agents, Non-Steroidal
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Cyclooxygenase 2 Inhibitors
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Nitrobenzenes
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Recombinant Proteins
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Sulfonamides
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Thiazolidines
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N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
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Cyclooxygenase 1
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Cyclooxygenase 2
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PTGS2 protein, human
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Indomethacin