期刊论文

Studies on Ellagic Acid with Bovine Serum Albumin Interaction Using Multispectral and Molecular Docking Simulation

中文

中国食品学报

1009-7848

2023

23

12

20-28

10.16429/j.1009-7848.2023.12.003

2018YFD0600404:国家重点研发计划

本校为第一机构

鞣花酸(EA)是一种具有抗氧化、抗癌、抗突变、抗炎等多种生理活性的天然多酚,鞣花酸与蛋白的相互作用直接影响其在人体的转运与代谢.本文运用多种光谱学方法与分子对接模拟法研究EA与牛血清蛋白(BSA)互作的反应机理.紫外光谱和荧光光谱研究结果表明:EA通过静态方式猝灭BSA的内源荧光,EA与BSA按1.5:1比例通过自发的放热过程结合,形成稳定的复合物,初步确定其主要作用力为范德华力和氢键.红外光谱和圆二色谱研究表明:EA的加入对BSA的二级结构影响显著,导致BSA中α-螺旋结构减少,β-折叠、β-转角和无规则卷曲结构增加,且EA与BSA间可能存在疏水作用力.分子对接模拟进一步验证了上述光谱分析结果,说...

Ellagic acid(EA)is a natural polyphenol with antioxidant,anti-cancer,anti-mutation,anti-inflammatory and other physiological activities.The interaction between ellagic acid and protein will directly affect its transport and metabolism in the human body.In this paper,a variety of spectroscopic methods and molecular docking simulation meth-ods were used to study the reaction mechanism of the interaction between EA and bovine serum albumin(BSA).The re-sults of UV spectroscopy and fluorescence spectroscopy showed that EA quenched the endogenous flu...