La Trobe
1165709_Trung,NQ_2021.pdf (1.17 MB)

Radical Scavenging Activity of Natural Anthraquinones: A Theoretical Insight

Download (1.17 MB)
journal contribution
posted on 2021-07-05, 05:28 authored by NQ Trung, NM Thong, DH Cuong, TD Manh, LP Hoang, NK Hien, PC Nam, DT Quang, Adam MechlerAdam Mechler, Quan Van VoQuan 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



Rights Statement

The Author reserves all moral rights over the deposited text and must be credited if any re-use occurs. Documents deposited in OPAL are the Open Access versions of outputs published elsewhere. Changes resulting from the publishing process may therefore not be reflected in this document. The final published version may be obtained via the publisher’s DOI. Please note that additional copyright and access restrictions may apply to the published version.

Usage metrics

    Journal Articles


    No categories selected