【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.更多还原

【Abstract】 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.更多还原