5'-羟基-2,2',4,4',5-五溴二苯醚与人血清白蛋白结合特征研究  

Study on the Binding Characteristics of 5'-Hydroxy-2,2',4,4',5-pentabromo Diphenyl Ether and Human Serum Albumin

作　　者：杨雾[1] 杨露露[1] 伍智蔚 易忠胜[1] 

机构地区：[1]广西高校食品安全与检测重点实验室岩溶地区水污染控制与用水安全保障协同创新中心桂林理工大学化学与生物工程学院,广西桂林541004

出　　处：《分析测试学报》2016年第9期1079-1086,共8页Journal of Instrumental Analysis

基　　金：国家自然科学基金资助项目(21267008);广西自然科学基金资助项目(2013GXNSFAA019034);广西高等学校高水平创新团队及卓越学者计划项目(桂教人〔2014〕49号)

摘　　要：在模拟生理环境下,通过稳态荧光光谱、时间分辨荧光光谱、傅立叶变换红外光谱和三维荧光光谱等方法研究了5'-羟基-2,2',4,4',5-五溴二苯醚(5'-OH-BDE-99)与人血清白蛋白的结合特征,并结合分子对接与分子动力学模拟技术对其作用机制进行了分析。荧光光谱实验、非辐射能量转移理论及动力学模拟研究表明,5'-OH-BDE-99能使HSA发生猝灭作用,且猝灭机制为静态猝灭。傅立叶变换红外光谱、三维荧光光谱及动力学模拟研究表明,5'-OH-BDE-99可诱导HSA构象和周围环境发生变化。此外,分子对接和热力学方法研究表明,二者间的主要作用力为疏水作用力。The primary objective of this study is to evaluate the binding characteristics of human serum albumin（HSA） and 5′-hydroxy-2,2′,4,4′,5-pentabromo diphenyl ether（5′-OH-BDE-99） in physiological conditions.Several spectroscopy techniques such as steady-state fluorescence spectroscopy,time-resolved fluorescence,FTIR and three-dimensional fluorescence spectrometry, combined with molecular docking and molecular dynamics simulation were employed to comprehensively analyze the mechanism of interaction between 5′-OH-BDE-99 and HSA.The results of fluorescence spectroscopy experiments,non-radiation energy transfer theory and dynamic simulation showed that 5′-OH-BDE-99 could quench the intrinsic fluorescence of HSA through static quenching mechanism.The experiments of FTIR,three-dimensional fluorescence spectra and dynamic simulation revealed that the binding of 5′-OH-BDE-99 to HSA could induce conformational and microenvironmental changes.Moreover,according to molecular docking and thermodynamic method,hydrophobic force is the main acting force.

关 键 词：多溴二苯醚 人血清白蛋白 荧光光谱 分子对接 动力学模拟 

分 类 号：O657.31[理学—分析化学] TQ314.248[理学—化学]