Kinetic and Docking Studies of the Interaction of Quinones with the Quinone Reductase Active Site

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• 作者：Zhigang Zhou ; Derek Fisher ; Jared Spidel ; Jodi Greenfield ; Brian Patson ; Aleem Fazal ; Carl Wigal ; Owen A. Moe ; and Jeffry D. Madura
• 刊名：Biochemistry
• 出版年：2003
• 出版时间：February 25, 2003
• 年：2003
• 卷：42
• 期：7
• 页码：1985 - 1994
• 全文大小：528K
• 年卷期：v.42,no.7(February 25, 2003)
• ISSN：1520-4995

文摘

NAD(P)H/quinone acceptor oxidoreductase type 1 (QR1) protects cells from cytotoxic andneoplastic effects of quinones though two-electron reduction. Kinetic experiments, docking, and bindingaffinity calculations were performed on a series of structurally varied quinone substrates. A good correlationbetween calculated and measured binding affinities from kinetic determinations was obtained. Theexperimental and theoretical studies independently support a model in which quinones (with one to threefused aromatic rings) bind in the QR1 active site utilizing a -stacking interaction with the isoalloxazinering of the FAD cofactor.