Molecular Docking and Reaction Kinetic Studies of Chrysin Binding to Serum Albumin

Bingli Jiang; Anran Zhao; Jianhua Miao; Pengfei Chang; Hailin Chen; Weigao Pan; Cuiwu Lin

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Molecular Docking and Reaction Kinetic Studies of Chrysin Binding to Serum Albumin

机译：菊花素与血清白蛋白结合的分子对接和反应动力学研究

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The binding properties of chrysin with serum albumin (SA) were investigated under physiological conditions by calorimetry, circular dichroism (CD) spectroscopy, and molecular modeling. Based on the thermodynamic data, molar reaction enthalpy, reaction order (n) and the rate constant (k) were calculated. The results of CD spectroscopy showed that chrysin could bind to SA and the conformation of SA did not have any high-ordered structural change. Computational mapping revealed chrysin binding to the subdomain IB in SA. The chrysin-serum albumin complex was stabilized by hydrophobic force and hydrogen bonding and the reaction was a spontaneous process.

机译：通过量热法，圆二色性（CD）光谱法和分子模型研究了生理条件下菊花素与血清白蛋白（SA）的结合特性。基于热力学数据，计算摩尔反应焓，反应阶数（n）和速率常数（k）。 CD光谱的结果表明，chrysin可以与SA结合，并且SA的构象没有任何高级的结构变化。计算作图揭示了chrysin与SA中亚域IB的结合。菊花链-血清白蛋白复合物通过疏水力和氢键稳定，反应是自发过程。

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《Natural product communications》 |2014年第2期|共6页
作者
Bingli Jiang; Anran Zhao; Jianhua Miao; Pengfei Chang; Hailin Chen; Weigao Pan; Cuiwu Lin;
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正文语种 eng
中图分类自然科学总论;
关键词
Chrysin; Molecular docking; Microcalorimetry; Serum Albumin.;

机译：胰蛋白酶;分子对接;微量热法;血清白蛋白。;

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1. Molecular Docking and Reaction Kinetic Studies of Chrysin Binding to Serum Albumin [J] . Bingli Jiang, Anran Zhao, Jianhua Miao, Natural product communications . 2014,第2期

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Molecular Docking and Reaction Kinetic Studies of Chrysin Binding to Serum Albumin

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