摘要
采用荧光光谱和分子对接模拟研究了甲基苯丙胺与牛血清白蛋白(BSA)之间的相互作用,发现甲基苯丙胺对BSA的荧光有明显的猝灭作用.采用分子对接的方法模拟了甲基苯丙胺与BSA的分子动力学过程.结果显示,甲基苯丙胺可能与BSA中具有内源荧光特性的色氨酸和苯丙氨酸通过静电引力发生相互作用.利用荧光光谱进一步研究了甲基苯丙胺与氨基酸的相互作用.发现甲基苯丙胺对两种氨基酸的荧光都产生了明显的猝灭作用.研究结果表明,由于静电引力的作用,甲基苯丙胺与BSA发生了结合,结合位点是BSA中的色氨酸和苯丙氨酸.
The fluorescence spectroscopy technique and molecular docking method were used to research the interaction between methamphetamine and bovine serum albumin(BSA).Firstly,the fluorescence spectra of BSA and BSA containing methamphetamine were studied,and experimental results show that methamphetamine leads to the fluorescence quenching of BSA.On this basis,the molecular dynamics between methamphetamine and BSA was simulated by the molecular docking method,and the results indicate that the methamphetamine probably interact with BSA in tryptophan and phenylalanine residues through electrostatic forces.Therefore,the interactions between methamphetamine and tryptophan,phenylalanine were studied,respectively.Results from the fluorescence spectroscopy indicate that methamphetamine leads to the fluorescence quenching of tryptophan,phenylalanine,respectively.Given the above,we can conclude that the methamphetamine bind with BSA through electrostatic forces,and the binding sites are tryptophan and phenylalanine residues.
作者
王岩
陈平
王云飞
刘桂英
杨曦
苏瑛
李君旸
刘伟伟
林列
WANG Yan;CHEN Ping;WANG Yunfei;LIU Guiying;YANG Xi;SU Ying;LI Junyang;LIU Weiwei;LIN Lie(Institute of Modern Optics,College of Electronic Information and Optical Engineering,Nankai University,Tianjin 300350,China;Beijing Anzhen Hospital,Capital Medical University,Beijing 100029,China)
出处
《高等学校化学学报》
SCIE
EI
CAS
CSCD
北大核心
2018年第11期2507-2512,共6页
Chemical Journal of Chinese Universities
基金
天津市科技支撑重点项目(批准号:15ZCZDGX00250,08ZCKFGX09400)
中国科学院长春光学精密机械与物理研究所发光学及应用国家重点实验室开放基金资助.
关键词
甲基苯丙胺
血清白蛋白
荧光光谱
分子对接
Methamphetamine
Serum albumin
Fluorescence spectroscopy
Molecular docking