Comparison of non-covalent binding interactions of six caffeoylquinic acids with β-lactoglobulin: Spectroscopic analysis, molecular docking and embedding of curcumin

Comparison of non-covalent binding interactions of six caffeoylquinic acids with β-lactoglobulin: Spectroscopic analysis, molecular docking and embedding of curcumin
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六种咖啡酰奎宁酸与β-乳球蛋白的非共价结合相互作用的比较:光谱分析、姜黄素分子对接和嵌入

DOI:
10.1016/j.foodhyd.2022.108391
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发表时间:
2022-12
期刊:
影响因子:
10.7
通讯作者:
Jinyan Gong
Jinyan Gong
中科院分区:
农林科学1区
文献类型:
--
作者:
Jiayuan Liu;Gongshuai Song;Like Zhou;Danli Wang;Tinglan Yuan;Ling Li;Guanghua He;Gongnian Xiao;Jinyan Gong

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在这项研究中,我们系统地比较了β-乳球蛋白(LG)与三种单咖啡酰奎宁酸(MCQA:3-CQA、4-CQA和5-CQA)和三种二咖啡酰奎宁酸(DCQA:3,4-DCQA、3,5-DCQA和4,5-DCQA)相互作用的差异。基于分子对接技术得出结论:6种咖啡酰奎宁酸与LG的非共价结合均以疏水作用力为主,其中DCQA的结合能力较强。抗氧化实验表明咖啡酰奎宁酸显著提高了LG的抗氧化性能,其中4,5-DCQA的抗氧化性能最好。对DPPh自由基的清除能力提高了约54μ摩尔/g样品,ABTS自由基清除能力提高了29.26μ摩尔/g样品。用6种非共价络合物包埋姜黄素,并进一步考察和比较了形成的溶液的稳定性。
In this study, we systematically compared the differences in the interactions of β-lactoglobulin (LG) with three mono-caffeoylquinic acids (MCQAs: 3-CQA, 4-CQA, and 5-CQA) and three dicaffeoylquinic acids (DCQAs: 3,4-DCQA, 3,5-DCQA, and 4,5-DCQA). Based on molecular docking techniques, it was concluded that the non-covalent binding of all six caffeoylquinic acids to LG was dominated by hydrophobic forces, among which the binding ability of DCQAs was stronger. The antioxidant assay revealed that caffeoylquinic acid significantly improved the antioxidant properties of LG, and the best antioxidant properties were achieved with 4,5-DCQA. The DPPH radical scavenging ability was increased by approximately 54 μmol Trolox/g-sample, and the ABTS radical scavenging ability increased by 29.26 μmol Trolox/g-sample. Six non-covalent complexes were used to embed curcumin, and the stability of the formed solution was further investigated and compared.
用于非共价纳米复合物的β-乳球蛋白和绿原酸的超声辅助组装:制造、表征和潜在的生物学功能
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