应用化学 ›› 2009, Vol. 26 ›› Issue (11): 1332-1335.

• 研究论文 • 上一篇    下一篇

苏丹红Ⅱ与肌红蛋白相互作用的分子模拟与实验

毛慧1,蔡炳锋1,赵波1*,王正武2   

  1. (1.曲阜师范大学化学与化工学院 曲阜 273165; 2.广州大学 广州)
  • 收稿日期:2008-11-06 修回日期:2009-03-23 出版日期:2009-11-10 发布日期:2009-11-10
  • 通讯作者: 张恒,男,博士,讲师; E-mail:ttlme@126.com; 研究方向:功能陶瓷与催化材料
  • 作者简介:通讯联系人:赵波;学位:博士;职称:教授。研究方向:物理化学和食品安全。
  • 基金资助:
    广东省自然科学基金(030514)广东省科技计划(2004B33401006)资助项目

Molecule Simulation and Spectroscopic Studies of Interaction between SudanⅡ and Myoglobin

MAO Hui1, CAI Bing-Feng1, ZHAO Bei1*, WANG Zheng-Wu2   

  1. (1.School of Chemistry and Chemical Engineering,Qufu Normal University,Qufu 273165;
    2.Guangzhou University,Guangzhou)
  • Received:2008-11-06 Revised:2009-03-23 Published:2009-11-10 Online:2009-11-10

摘要:

用荧光光谱法研究了苏丹红Ⅱ与肌红蛋白(Mb)之间的相互作用, 实验结果表明,二者结合位点数近似为1, 结合常数K=3.84×107L/mol, 有很强的相互作用. 用分子柔性对接技术模拟确定了它们之间的作用位点、作用力类型及相互作用能. 理论计算的结果表明,苏丹红Ⅱ和Mb相互作用的势能为-9419.9 kJ/mol, 静电能为-7468.8 kJ/mol, 范德华能为-1951.0 kJ/mol. 苏丹红Ⅱ与Mb中His64残基形成氢键, 苏丹红Ⅱ也能与疏水氨基酸残基, 如能产生内源荧光的Phe33、Phe43、Phe106 和 Phe138等发生作用, 这与苏丹红Ⅱ能使Mb荧光猝灭的实验结果是一致的.

关键词: 苏丹红Ⅱ, 肌红蛋白, 相互作用, 分子模拟

Abstract:

The interaction between sudanⅡand Myoglobin(Mb) was investigated via fluorescence spectroscopy. The experimental resultes suggest that there is strong interaction between sudanⅡand Mb. The binding site number n is about 1 and the binding constant, K is 3.84×107L/mol. The position, type and energy of the interaction between sudanⅡand Mb were investigated by means of  the flexible molecule docking technology. It was obtained from the theoretical calculation that the values of potential energy, electrostatic energy and van der waals energy of the interaction between SudanⅡand Mb are -9419.9, -7468.8 and -1951.0 kJ/mol, respectively. SudanⅡcan form the hydrogen bonds with His64 of Mb. In addition,  SudanⅡcan also interact with Phe33 、Phe43、Phe106 and Phe138 residues, which can produce fluorescence. Thus, the interaction can lead to the fluorescence quenching of Mb. This is in good agreement with the result of the fluorescence experiments.

Key words: SudanⅡ, Myoglobin, Interaction, Molecule modeling

中图分类号: