Antioxidative capacities of stilbenoid Suaveolensone A and Flavonoid Suaveolensone B: A detailed analysis of structural-electronic properties and mechanisms

Searching for bioactive compounds from natural products to antioxidative drugs, polyphenols type stilbenoids and flavonoids are recognized as useful candidates. The current study aims to elucidate the promising antioxidative capacity of two previously undescribed compounds silbenoid suaveolensone A (1) and flavonoid suaveolensone B (2), which mainly based upon DFT computational method. The antioxidant actions of both two studied compounds 1-2 is due to OH bond disruption, and followed by HAT mechanism in gas, but SPLET model in solvents acetone, methanol, and water. Structural and electronic analyses point out the role of aromatic phenyl units in antioxidative reactions. They respond for the more delocalization of electrons, thereby facilitating antiradical reactions. From the kinetic reaction of HOO center dot radicals attack OH groups, flavanonol 2 is better than stilbenoid 1 in antioxidative treatment, in which the lower Gibbs activation energies Delta G# of 9.8 12.9 kcal/mol and the higher rate constants K of 8.266 x 10(6) 2.946 x 10(8) L/mol.s of compound 2 compared to those of compound 1 (the Delta G # values of 11.2 - 25.3 kcal/mol and the K values of 1.946 x 10(1) - 6.297 x 10(7) L/mol.s) (c) 2020 Elsevier B.V. All rights reserved.

Automated summary

The study identifies the antioxidative capabilities of two previously undescribed compounds, stilbenoid suaveolensone A and flavonoid suaveolensone B, using DFT computational method. Both compounds exhibit antioxidative actions due to OH bond disruption, with flavonoid 2 showing better performance in antioxidative treatment compared to stilbenoid 1.