文章基本信息

标题：Structure–Activity Relationships and Docking Studies of Hydroxychavicol and Its Analogs as Xanthine Oxidase Inhibitors
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作者：Keiji Nishiwaki ; Kanae Ohigashi ; Takahiro Deguchi 等
期刊名称：Chemical and Pharmaceutical Bulletin
印刷版ISSN：0009-2363
电子版ISSN：1347-5223
出版年度：2018
卷号：66
期号：7
页码：741-747
DOI：10.1248/cpb.c18-00197
语种：English
出版社：The Pharmaceutical Society of Japan
摘要：Hydroxychavicol (HC), which is obtained from the leaves of Piper betle LINN. (Piperaceae), inhibits xanthine oxidase (XO) with an IC₅₀ value of 16.7 µM, making it more potent than the clinically used allopurinol (IC₅₀=30.7 µM). Herein, a structure–activity relationship analysis of the polar part analogs of HC was conducted and an inhibitor was discovered with a potency 13 times that of HC. Kinetic studies have revealed that HC and its active analog inhibit XO in an uncompetitive manner. The binding structure prediction of these inhibitor molecules to the XO complex with xanthine suggested that both compounds (HC and its analog) could simultaneously form hydrogen bonds with xanthine and XO.
关键词：hydroxychavicol;xanthine oxidase inhibitor;structure–activity relationship;docking study