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金银花活性成分绿原酸与不同蛋白质相互作用机制的比较分析研究

Keywords: 绿原酸,乳铁蛋白,血清白蛋白,荧光光谱,紫外吸收光谱,分子模建

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Abstract:

目的:分析比较金银花活性成分绿原酸(chlorogenicacid,CGA)与乳铁蛋白(bovinelactoferrin,BLF)及血清白蛋白(bovineserumalbumin,BSA)的分子作用机制。方法:光谱法结合计算机模拟技术测定药物与蛋白质相互作用的结合参数、能量转移参数与热力学函数,探讨分子作用机制并比较分析绿原酸与不同蛋白质的相互作用差异。结果:CGA与BLF的相互作用表现为动态分子作用机制,而CGA与BSA结合生成静态复合物,结合强度因温度不同存在一定差异;金银花活性成分与各蛋白质的结合距离r均很小,说明发生了能量转移现象;分子模建结果显示药物与蛋白质的相互作用力主要是氢键,兼有范德华力和疏水作用。结论:计算机模拟与实验测试获得了一致性结果。

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