Theoretical insights into the mechanism, kinetics and solvent effects of the radical scavenging activity of artoheterophyllins

被引：1

作者：

Van Bay, Mai ^{[1
,2
]}

Thong, Nguyen Minh ^{[1
]}

Nam, Pham Cam ^{[2
]}

Mechler, Adam ^{[3
]}

Hoa, Nguyen Thi ^{[4
]}

Vo, Quan V. ^{[4
]}

机构：

[1] Univ Danang, Dept Chem, Univ Sci & Educ, Danang 550000, Vietnam

[2] Univ Danang, Univ Sci & Technol, Danang 550000, Vietnam

[3] La Trobe Univ, Dept Chem & Phys, Bundoora, Vic 3086, Australia

[4] Univ Danang, Univ Technol & Educ, Danang 550000, Vietnam

来源：

CHEMICAL PHYSICS LETTERS | 2023年 / 832卷

关键词：

Artocarpus heterophyllus; Antioxidants; Radical scavenging; Kinetics; DFT; ANTIOXIDANT ACTIVITY; ARTOCARPUS-HETEROPHYLLUS; COMPUTATIONAL DESIGN; DENSITY FUNCTIONALS; ENTHALPIES; ENERGETICS; BENCHMARK;

D O I：

10.1016/j.cplett.2023.140867

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Ten phenolic compounds (artoheterophyllins-AH) isolated from Artocarpus heterophyllus have been evaluated for their antioxidant activity. Density functional theory (DFT) simulations were employed to evaluate the antiradical activity of the AH. It was found that in physiological environments AH may exhibit moderate HOO center dot radical scavenging activity, especially compounds 2 and 7. In water at pH 7.4, the radical trapping activity of stilbenes 2 and 7 is approximately 100 times faster than that of Trolox; however, their activities in lipid media are inferior to Trolox. These substances may therefore behave as potent antioxidants in the physiological aqueous environments.

引用

页数：6

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