Molecular modeling of flavonoids that inhibits xanthine oxidase

Chun Mao Lin, Chien Shu Chen, Chien Tsu Chen, Yu Chih Liang, Jen Kun Lin

研究成果: 雜誌貢獻文章同行評審

247 引文 斯高帕斯(Scopus)


The inhibition of xanthine oxidase activity by various flavonoids was assessed. All of the tested flavonoids were competitive inhibitors, and from the kinetic analysis suggested that flavonoids bind to the reactive site. To further understand the stereochemistry between these flavonoids and xanthine oxidase, structure-based molecular modeling was performed. Apigenin was the most potent inhibitor which showed the most favorable interaction in the reactive site. The bicyclic benzopyranone ring of apigenin stacked with phenyl of Phe 914, and the phenolic group stretched to the space surrounding with several hydrophobic residues. Quercetin and myricetin composed a 3-hydroxyl group on benzopyranone which resulting in reduction of binding affinity. The phenolic group of genistein positioned in opposite orientation comparison with apigenin, and resulted in a weaker interaction with xanthine oxidase. Isovitexin showed the weakest inhibitory effect among the compounds tested. The bulky group of sugar in isovitexin may hamper its interaction with xanthine oxidase.
頁(從 - 到)167-172
期刊Biochemical and Biophysical Research Communications
出版狀態已發佈 - 2002

ASJC Scopus subject areas

  • 分子生物學
  • 生物物理學
  • 生物化學
  • 細胞生物學


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