槲皮素与人血清白蛋白作用机理2.docVIP

槲皮素与人血清白蛋白作用机理 王欢，王姣，蒲小华，李宗孝( （ 陕西省植物化学重点实验室，陕西宝鸡 721013） 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，随着槲皮素从0增加到19.62×10-7，HAS的荧光强度从844.3下降到461.4，最大发射波长由340.7 nm到338.6 nm，变化不明显，并且随着温度从298K升高到303K，猝灭常数由4.66 ×105 L/mol减小到2.69 ×105 L/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Sudlow II位点的结合最高积分别为6.41和7.36，总能量分别为 -37.01 kJ/mol和-39.98 kJ/mol，表明其在Sudlow II位点的结合较强，且两种结合的作用力主要为氢键作用（键能分别为- 10.41 kJ/mol和-12.34 kJ/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F?rster’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。 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 中图分类号：O657.3 文献标识码：A Study on the Mechanism between Quercetin and Human serum albumin WANG Huan, WANG Jiao, PU Xiao-hua, LI Zong-xiao* (Shannxi Key Laboratory of Phytochemistry,?Baoji, Shaanxi 721013,? China) Abstract: The thermodynamic behavior of the interaction between Quercetin and HSA is investigated by FS, UVS and MS. In fluorescence experiments, The interaction of quercetin and HSA, with C (quercetin) increased from 0 to 19.62×10-7 mol/L, the fluorescence intensity of HAS decreased from 844.3 to 461.4, the maximum emission wavelength from 340.7 nm to 338.6 nm, did not change significantly, and as the temperature increases from 298K to 303K, the quenching constant decreases from 4.66×105 L/mol to 2.69×105 L/mol the fluorescence intensity of HSA obviously decreases with the increase of quercetin concentration, but the maximum emission wavelength has no obvious displacement, and the quenching constant decreases with the raising of temperature. The results show that quercetin can strongly quench intrinsic fluorescence of HSA and quenching mechanism of quercetin with HSA is mainly a static quenching. In molecular simulation experiments, the quercetin molecule on Sudlow’s sites I and Sudlow’s sites II with the highest point are 6.41 and 7.36, in a total energy of -37.01 kJ/mol and -39.98 kJ/mol respectively, show stronger binding on site II and hydrogen bonding in