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多光谱学和分子对接研究异槲皮苷和玉米醇溶蛋白纳米粒相互作用机制和抗氧化活性。

Multi-spectroscopies and molecular docking insights into the interaction mechanism and antioxidant activity of isoquercetin and zein nanoparticles.

机构信息

State Key Laboratory of Biochemical Engineering, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, PR China; University of Chinese Academy of Sciences, Beijing 100049, PR China.

State Key Laboratory of Biochemical Engineering, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, PR China.

出版信息

Int J Biol Macromol. 2024 Apr;263(Pt 1):130412. doi: 10.1016/j.ijbiomac.2024.130412. Epub 2024 Feb 22.

DOI:10.1016/j.ijbiomac.2024.130412
PMID:38401577
Abstract

The purpose of this study was to compare and characterize the theoretical properties and interaction mechanisms of zein and isoquercetin (ISO) from experimental and theoretical perspectives. Zein nanoparticles with different ISO concentrations (ZINPs) were prepared by the antisolvent precipitation method. The experimental results indicated all particles appeared spherical. When the mass ratio of zein to ISO was 10:1, the encapsulation efficiency of ZINPs reached 88.19 % with an average diameter of 126.67 nm. The multispectral method and molecular docking results confirmed that hydrogen bonding and van der Waals force played a dominant role for the binding of ISO to zein, and the primary fluorescence quenching mechanism for zein by ISO was static quenching. Furthermore, ZINPs had greater solubility and antioxidant activity, as well as inhibited the release of ISO during simulated gastrointestinal digestion processes. This research contributes to the understanding of the non-covalent binding mechanism between zein and ISO, providing a theoretical basis for the construction of ISO active carriers.

摘要

本研究旨在从实验和理论角度比较和描述玉米醇溶蛋白和异槲皮苷(ISO)的理论性质和相互作用机制。采用抗溶剂沉淀法制备了不同 ISO 浓度的玉米醇溶蛋白纳米粒(ZINPs)。实验结果表明所有颗粒均呈球形。当玉米醇溶蛋白与 ISO 的质量比为 10:1 时,ZINPs 的包封效率达到 88.19%,平均粒径为 126.67nm。多光谱法和分子对接结果证实,氢键和范德华力在 ISO 与玉米醇溶蛋白的结合中起主导作用,ISO 对玉米醇溶蛋白的主要荧光猝灭机制是静态猝灭。此外,ZINPs 具有更大的溶解度和抗氧化活性,并且在模拟胃肠道消化过程中抑制 ISO 的释放。本研究有助于理解玉米醇溶蛋白与 ISO 之间的非共价结合机制,为构建 ISO 活性载体提供了理论依据。

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