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Radical Scavenging Activity of Natural Anthraquinones: A Theoretical Insight

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journal contribution
posted on 05.07.2021, 05:28 by NQ Trung, NM Thong, DH Cuong, TD Manh, LP Hoang, NK Hien, PC Nam, DT Quang, Adam Mechler, Quan Van Vo
Anthraquinones (ANQs) isolated from Paederia plants are known to have antidiarrheal, antitussive, anthelmintic, analgesic, anti-inflammatory, antihyperlipidemic, antihyperglycaemic, and antimicrobial activities. The antioxidant properties were also noted but not confirmed thus far. In this study, the superoxide and hydroperoxide radical scavenging activities of six ANQs were evaluated using a computational approach. The results suggest that the ANQs exhibit low HOO• antiradical activity in all environments, including the gas phase (k < 102 M-1 s-1). In contrast, the ANQs might exert excellent O2•- radical scavenging activity, particularly in aqueous solution. The rate constants of the superoxide anion scavenging in water (at pH = 7.4) range from 3.42 × 106 to 3.70 × 108 M-1 s-1. Compared with typical antioxidants such as ascorbic acid and quercetin, the superoxide anion scavenging activity of ANQs is significantly higher. Thus, the ANQs are promising O2•- radical scavengers in polar media.


This research is funded by the Vietnam National Foundation for Science and Technology Development (NAFOSTED).


Publication Date



ACS Omega






7p. (p. 13391-13397)


American Chemical Society



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