期刊
BIOORGANIC & MEDICINAL CHEMISTRY
卷 18, 期 16, 页码 5855-5860出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.bmc.2010.06.094
关键词
Cyclooxygenase-2 inhibition; Ketoprofen analogs; Quinoline-4-carboxylic acid; Molecular modeling
A new series of ketoprofen analogs were synthesized to evaluate their biological activities as selective cyclooxygenase-2 (COX-2) inhibitors. In vitro COX-1 and COX-2 inhibition studies showed that all compounds were potent and selective inhibitors of the COX-2 isozyme with IC(50) values in the highly potent 0.057-0.085 mu M range, and COX-2 selectivity indexes in the 115 to >1298.7 range. Compounds possessing azido pharmacophore group (8a and 8b) exhibited highly COX-2 inhibitory selectivity and potency even more than reference drug celecoxib. Molecular modeling studies indicated that the azido substituent can be inserted deeply into the secondary pocket of COX-2 active site for interactions with Arg(513). (C) 2010 Elsevier Ltd. All rights reserved.
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