Inhibitory mechanism of lactoferrin on antibacterial activity of oenothein B: isothermal titration calorimetry and computational docking simulation.
Inhibitory mechanism of lactoferrin on antibacterial activity of oenothein B: isothermal titration calorimetry and computational docking simulation.
复制标题
乳铁蛋白对月见草苷B抗菌活性的抑制机制：等温滴定量热法和计算对接模拟。
DOI：
10.1002/jsfa.10271
复制
发表时间：
2020
影响因子：
4.1
通讯作者：
Li Wang
中科院分区：
文献类型：
--
作者：
Lichao Zhao;Aidi Zhou;Zitao Liu;Jian Xiao;Yu Wang;Yong Cao;Li Wang
BACKGROUND
Many foods contain proteins and polyphenols, but there is a poor understanding of the nature of the inhibitory effect of protein on the biologic activity of polyphenols. The inhibitory mechanism of the food protein lactoferrin on the antibacterial activity of oligomeric ellagitannin oenothein B (OeB) was investigated using fluorescence quenching, isothermal titration calorimetry (ITC), circular dichroism (CD) measurement and molecular docking.
RESULTS
The antibacterial activity of OeB against S. aureus was inhibited by lactoferrin, which was retained at about 60%. An interaction study revealed that an interaction occurred between OeB and lactoferrin. Thermodynamic analyses indicate that the binding process was spontaneous, and the main driving forces were based on electrostatic interactions that contributed to a high interaction affinity between OeB and lactoferrin. Furthermore, circular dichroism spectra provided insights into conformational changes of lactoferrin. Finally, molecular docking analysis provided a visual representation of a single binding site where OeB interacted with specific amino acid residues located at the active site of lactoferrin. In particular, due to the unique macrocyclic structure and rigid ring structure of OeB, a small number of hydroxyl groups in the rigid structure of OeB interacted with the amino acid of lactoferrin while most of the phenolic hydroxyl groups were not associated with lactoferrin.
CONCLUSION
Our study provides a theoretical basis for the use of OeB as an antibacterial substance that can be used in nutraceuticals and pharmaceutical products. This article is protected by copyright. All rights reserved.
影响因子：
4.2
作者：
Zambuzzi-Carvalho PF;Tomazett PK;Santos SC;Ferri PH;Borges CL;Martins WS;de Almeida Soares CM;Pereira M
通讯作者：
Pereira M