山西大学学报（自然科学版）2024，Vol.47Issue(5)：1086-1096,11.DOI:10.13451/j.sxu.ns.2024110
单宁酸与人血清白蛋白互作的分子动力学分析和实验验证
The Molecular Dynamics and Experimental Verification of the Interaction Between Tannic Acid and Human Serum Albumin Protein
摘要
Abstract
This study examines the interaction between tannic acid(TA)and human serum albumin(HSA)using fluorescence spec-troscopy,enzymolysis and molecular docking techniques.The results reveal that the interaction process between TA and HSA could be regarded as a typical two-stage reaction:a rapid reaction stage(RRS)and a slow reaction stage(SRS).The binding constants at 25℃are determined to be 3.16×105 L·mol-1 and 3.55×108 L·mol-1,respectively.The analysis of the fluorescence spectra indicates that TA quenches HSA through a static quenching mechanism,with hydrophobic forces playing a significant role in the binding pro-cess.Based on the Förster non-radiative energy transfer theory,the binding site of TA is identified as the hydrophobic region of sub-domain A.The distance between TA and HSA Trp212 are measured to be 2.21 nm in RRS and 1.97 nm in SRS,respectively.Hydro-phobic probe and enzymatic hydrolysis analysis,confirmed that the interaction between TA and HSA was divided into two indepen-dent processes,including instantaneous recognition and coupling in the fast reaction and rematching in the slow reaction.In conclu-sion,this study provides clarification on the interaction mechanism and reaction process between TA and HSA,thereby enhancing our understanding of the interaction between plant polyphenols and proteins.关键词
快反应/慢反应/荧光光谱/分子对接Key words
rapid reaction/slow reaction/fluorescence spectra/molecular docking分类
农业科技引用本文复制引用
田鹏,宋洁,赵成鹏,张晨玉,武棒棒,赵春贵..单宁酸与人血清白蛋白互作的分子动力学分析和实验验证[J].山西大学学报（自然科学版）,2024,47(5):1086-1096,11.基金项目
山西省教育科学"十四五"规划课题(TY-230016) （TY-230016）
山西省哲学社会科学项目(2023YJ148) （2023YJ148）
