1. Multi-spectroscopies and molecular docking insights into the interaction mechanism and antioxidant activity of isoquercetin and zein nanoparticles.
- Author
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Yue, Xiao-Jie, Xu, Peng-Wei, Luo, Xiao-Chuan, and Zhao, Bing
- Subjects
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MOLECULAR docking , *QUERCETIN , *VAN der Waals forces , *PRECIPITATION (Chemistry) , *FLUORESCENCE quenching , *HYDROGEN bonding , *MULTISPECTRAL imaging - 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. • Multi spectral and molecular docking to explore zein and ISO interaction mechanism. • The main interactions of zein and ISO were hydrogen bonding and van der Waals force. • ZINPs had higher solubility, antioxidant capacity, and in vitro digestibility. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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