槲皮素与人血清白蛋白作用机理

发布时间：2018-02-24 08:24

  本文关键词： 人血清白蛋白 荧光光谱 分子模拟技术 槲皮素 静态猝灭 医药原料　出处：《精细化工》2017年12期 　论文类型：期刊论文

【摘要】：采用荧光光谱、紫外吸收光谱、分子模拟等技术,研究了槲皮素与人血清白蛋白(HSA)相互作用的热力学行为。荧光实验结果表明:槲皮素与HSA相互作用时,随着槲皮素的浓度从0增加到1.962×10~(-6)mol/L,HAS的荧光强度从844.3下降到461.4,最大发射波长由340.7 nm降低到338.6 nm,变化不明显,并且随着温度从293 K升高到303 K,猝灭常数由4.66×10~5L/mol减小到2.69×10~5L/mol,说明槲皮素对HSA的内源荧光有明显的猝灭作用,猝灭机理为静态猝灭。分子模拟结果显示:槲皮素分子在HAS的Sudlow I位点和SudlowⅡ位点的结合最高积分分别为6.41和7.36,总能量分别为-37.01 k J/mol和-39.98 k J/mol,表明其在SudlowⅡ位点的结合能力较强,且两种结合的作用力主要为氢键作用(键能分别为-10.41 k J/mol和-12.34 k J/mol)。在位点Ⅰ和位点Ⅱ上,槲皮素分子与发光氨基酸残基Trp214的质心距离分别为1.36和2.40 nm。这与根据F9rster's非辐射能量转移理论计算的平均距离3.04 nm结果基本吻合。
[Abstract]:The thermodynamic behavior of the interaction of quercetin with human serum albumin (HSA) was studied by means of fluorescence spectrum, UV absorption spectrum and molecular simulation. As the concentration of quercetin increased from 0 to 1.962 脳 10 ~ (-1) ~ (-1) mol / L ~ (-1), the fluorescence intensity decreased from 844.3 to 461.4, and the maximum emission wavelength decreased from 340.7 nm to 338.6 nm. The quenching constant decreased from 4.66 脳 10 ~ (5) L / mol to 2.69 脳 10 ~ (5) L / mol with the increase of temperature from 293K to 303K, indicating that quercetin has obvious quenching effect on endogenous fluorescence of HSA. The results of molecular simulation showed that the highest integrals of quercetin binding at Sudlow I site and Sudlow 鈪，

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