分子荧光光谱法结合分子动力学模拟研究2′-OH-BDE-68与HSA的相互作用

发布时间：2018-02-16 07:59

  本文关键词： 分子荧光光谱法 分子对接 分子动力学模拟 ′-羟基- ′ -四溴二苯醚 人血清白蛋白　出处：《理化检验(化学分册)》2017年01期 　论文类型：期刊论文

【摘要】：结合分子荧光光谱法、分子对接和分子动力学模拟等方法研究了在生理条件(pH 7.40)下2′-羟基-2,3′,4,5-四溴二苯醚(2′-OH-BDE-68)与人血清白蛋白(HSA)的相互作用及其对HSA构象的影响。结果表明:1 2′-OH-BDE-68对HSA内源性荧光的猝灭属静态猝灭和非辐射能量转移过程;2两者之间的反应是以疏水作用力为主辅以微弱的静电作用的自发反应过程;3 2′-OH-BDE-68与HSA的结合在10ns内趋于平衡,结合位点在SiteⅠ;4复合物的形成使HSA分子中的色氨酸的疏水性增加,从而HSA的二级结构发生改变。
[Abstract]:Combined with molecular fluorescence spectroscopy, Molecular docking and molecular dynamics simulation methods were used to study the interaction between 2OH-BDE-68) and human serum albumin (HSA) under physiological conditions (pH 7.40). The results showed that the conformation of HSA was affected by the conformation of human serum albumin (HSA). The fluorescence quenching is a static quenching process and a non-radiative energy transfer process. The spontaneous process of fluorescence quenching is the spontaneous reaction process in which hydrophobic force is dominant and the electrostatic action is weak. The combination of OH-BDE-68 and HSA tends to balance in 10 ns. The formation of binding site in Site 鈪，

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