应用化学2009，Vol.26Issue(11)：1332-1335,4.
苏丹红Ⅱ与肌红蛋白相互作用的分子模拟与实验
Molecular Simulation and Spectroscopic Studies of Interactions between SudanⅡ and Myoglobin
摘要
Abstract
The interactions between Sudan Ⅱ and Myoglobin(Mb) were investigated via fluorescence spectro-scopy. The experimental results suggest that there is strong interaction between Sudan Ⅱ and Mb. The binding site number n is about 1 and the binding constant, K, is 3. 84 × 10~7 L/mol. The position, type and energy of the interaction between Sudan Ⅱ and 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 Sudan Ⅱ and Mb are -9 419. 9, -7 468. 8, - 1 951. 0 kJ/mol, respectively. Sudan Ⅱ can form hydrogen bonds with His64 of Mb. In addition, Sudan Ⅱ can 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 experiment.关键词
苏丹红Ⅱ/肌红蛋白/相互作用/分子模拟Key words
Sudan Ⅱ/ myoglobin/ interaction/ molecule modeling分类
化学化工引用本文复制引用
毛慧,蔡炳锋,赵波,王正武..苏丹红Ⅱ与肌红蛋白相互作用的分子模拟与实验[J].应用化学,2009,26(11):1332-1335,4.基金项目
上海市科委重大科技攻关项目(07dz19508)、江苏高校自然科学基金(07KJD150098)和江苏省科技厅自然科学基金(BK2008372)资助项目 （07dz19508）
