邻苯二甲酸二环己酯与牛血清白蛋白相互作用研究  

Study on the Interaction Between Dicyclohexyl Phthalate and Bovine Serum Albumin

作　　者：吴明火 李尚春 王丽梅 韩知峡 王艳芳 张青碧 WU Minghuo;LI Shangchun;WANG Limei;HAN Zhixia;WANG Yanfang;ZHANG Qingbi(School of Public Health,Southwest Medical University,Luzhou 646000)

机构地区：[1]西南医科大学公共卫生学院,四川泸州646000

出　　处：《分析科学学报》2022年第3期321-326,共6页Journal of Analytical Science

基　　金：泸州市人民政府-西南医科大学战略合作项目(No.2018LZXNYD-ZK09)。

摘　　要：本文利用光谱法和分子对接技术,研究邻苯二甲酸二环己酯(DCHP)与牛血清白蛋白(BSA)的相互作用机制。荧光光谱结果表明,DCHP可以诱导BSA的内源性荧光猝灭,且猝灭机制为静态猝灭;随着DCHP浓度增大,BSA最大发射波长发生蓝移。不同温度下的热力学常数表明,DCHP主要靠氢键和范德华力与BSA相结合;同时DCHP与BSA只有1个结合位点。位点实验结果显示DCHP与BSA在位点Ⅰ结合。同步荧光光谱、三维荧光和圆二色谱结果进一步证实DCHP改变了BSA的构象。通过分子对接技术模拟DCHP与BSA在分子水平上的相互作用机制,结果与光谱学研究结果一致。Phthalate esters(PAEs)are a type of persistent organic pollutants and have received widespread concerns due to their adverse effects on human health.In the study,the interaction between dicyclohexyl phthalate(DCHP)and bovine serum albumin(BSA)was studied by several spectroscopic techniques and molecular docking.The results of fluorescence spectrometry showed DCHP could quench endogenous fluorescence of BSA and the quenching process was static quenching.With the increase of DCHP concentration,the wavelength of BSA had gradually blue shift.DCHP could quench endogenous fluorescence of BSA at 293 K,298 K and 303 K,with the binding contants(Ka)of 2.64×10^(5),2.45×10^(5) and 1.30×10^(5) L/mol,respectively.There was only one binding site on BSA under the above mentioned three conditions.Hydrogen bonds and van der Waals forces were the main driving force for the combination of DCHP and BSA.The results of synchronous fluorescence spectroscopy,three-dimensional fluorescence spectroscopy and circular dichroism confirmed that the conformation of BSA was changed by DCHP.The results of simultaneous fluorescence spectroscopy and site experiments indicated that the bind site of DCHP-BSA complex located on the site I of BSA.Finally,the molecular docking technique was used to simulate the interaction mechanism between DCHP and BSA,and the results were consistent with the results of spectroscopy studies.

关 键 词：邻苯二甲酸二环己酯 牛血清白蛋白 光谱法 分子对接 

分 类 号：O657.39[理学—分析化学]