Molecular mechanism of epicatechin gallate binding with carboxymethyl β-glucan and its effect on antibacterial activity

被引:16
作者
Wang, Jingyi [1 ,2 ]
Yu, Zuwei [1 ,2 ]
Wu, Wenjuan [1 ,2 ]
He, Shumin [1 ,2 ]
Xie, Bijun [3 ]
Wu, Muci [4 ]
Sun, Zhida [3 ]
机构
[1] Hubei Univ Technol, Natl Ctr Cellular Regulat & Mol Pharmaceut 111, Key Lab Fermentat Engn, Minist Educ, Wuhan 430068, Peoples R China
[2] Hubei Univ Technol, Coll Bioengn & Food, Wuhan 430068, Peoples R China
[3] Huazhong Agr Univ, Coll Food Sci & Technol, Wuhan 430070, Peoples R China
[4] Wuhan Polytech Univ, Sch Modern Ind Selenium Sci & Engn, Wuhan 430023, Peoples R China
关键词
Flavanols-polysaccharide interaction; Antibacterial activity; NMR; Two-dimensional FT-IR; Molecular dynamics simulation; NONCOVALENT INTERACTIONS; PERSIMMON TANNINS; TEA CATECHINS; POLYSACCHARIDES; POLYPHENOLS; CONSEQUENCES; CONFORMATION; ANTIOXIDANT; CELLULOSE; PACHYMAN;
D O I
10.1016/j.carbpol.2022.120105
中图分类号
O69 [应用化学];
学科分类号
081704 ;
摘要
The non-covalent binding between flavanols and polysaccharides has impacts on their bioactivities, but the binding mechanism is less understood. This work aimed to unveil the non-covalent interactions between epicatechin gallate (ECG) and anionic carboxymethyl Poria cocos polysaccharide (CMPN) at the structural and molecular level based on the synergistic antibacterial effect between them. The results suggested that there was hydrogen bonding, hydrophobic and electrostatic interaction between ECG and CMPN, which was also supported by the results of molecular dynamics simulations. The resulting changes in physicochemical properties enhanced the antibacterial activity of the ECG-CMP N mixture. More specifically, through two-dimensional Fourier transform infrared correlation spectrum (2D-FT-IR) and nuclear magnetic resonance spectroscopy (NMR) analysis, COO- in CMPN carboxymethyl and C=O in ECG galloyl had the highest response priority and binding strength in the interaction, allowing us to conclude the critical functional groups that affect the non-covalent interactions of polysaccharide and flavanols and their bioactivities.
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页数:10
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