The interaction mechanism between anionic or cationic surfactant with HSA by using spectroscopy, calorimetry and molecular docking methods
The interaction mechanism between anionic or cationic surfactant with HSA by using spectroscopy, calorimetry and molecular docking methods
复制标题
利用光谱、量热和分子对接方法研究阴离子或阳离子表面活性剂与HSA的相互作用机制
DOI：
10.1016/j.molliq.2016.10.060
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发表时间：
2016-12-01
影响因子：
6
通讯作者：
Liu, Rutao
中科院分区：
文献类型：
--
作者：
Liu, Yang;Cao, Zhaozhen;Liu, Rutao
十二烷基硫酸钠(十二烷基硫酸钠)和十六烷基三甲基溴化铵(CTAB)是常用的离子表面活性剂。以往的研究分别研究了这两种表面活性剂与人血清白蛋白(HSA)之间的相互作用。然而，他们只用有限的方法研究了表面活性剂和人血清白蛋白之间的毒性，并没有比较不同类型的表面活性剂之间的毒理效应。为了全面评价表面活性剂与人血清白蛋白的作用机理，比较两种表面活性剂的差异，本文采用了光谱分析、分子模拟计算和量热分析等方法。随着CTAB的加入，HSA的二级结构被展开。而十二烷基硫酸钠并未引起蛋白质骨架的明显变化。根据ITC的结果，SDS可以通过放热过程结合到HSA上，而CTAB可以通过吸热过程结合到HSA上。分子对接研究结果表明，十二烷基硫酸钠与人血清白蛋白通过静电作用力与精氨酸410和酪氨酸411残基结合，而十六烷基三甲基溴化铵以弱静电力与人血清白蛋白相互作用。因此，添加十二烷基硫酸钠的人血清白蛋白的酯酶活性下降幅度大于添加CTAB的人血清白蛋白。(C)2016爱思唯尔B.V.保留所有权利。
Sodium dodecyl sulfate (SDS) and cetyl trimethylammonium bromide (CTAB) are common ionic surfactants. Former researches have investigated the interactions between the two surfactants and human serum albumin (HSA), separately. However, they only used limited methods to investigate the toxicity between the surfactants and HSA, and did not compare the toxicological effects between different types of surfactants. For full evaluating the mechanism of surfactants with HSA and comparing the difference between two kinds of surfactants, the methods of spectroscopy, molecular modeling calculation, and calorimetry were used in this paper. With the addition of CTAB, the secondary structure of HSA was unfolded. While, SDS did not cause clearly changes of the protein skeleton. Based on the ITC results, SDS could bind to HSA through an exothermic process and CTAB could bind to HSA through an endothermic process. According to the results of molecular docking study, SDS bound to HSA with Arg 410 and Tyr 411 residues through electrostatic force, while CTAB interacted with HSA with a weak electrostatic force. Thus the decrease of esterase activity of HSA with the addition of SDS was sharper than those with the addition of CTAB. (C) 2016 Elsevier B.V. All rights reserved.