The hydroperoxyl radical scavenging activity of sulfuretin: insights from theory

Sulfuretin (SFR), which is isolated from Rhus verniciflua , Toxicodendron vernicifluum, Dahlia, Bidens tripartite and Dipterx lacunifera one of the most important natural flavonoids. This compound known to have numerous biological activities; among these, antioxidant activity has not been thoroughly studied yet. In this study, hydroperoxyl scavenging SFR was examined by using density functional theory calculations. predicted be an excellent HOO • scavenger in water at pH = 7.40 with k overall 4.75 × 10 7 M ?1 s principally due increase anionic form following single-electron transfer mechanism. Consistently, neutral more prominent non-polar environment 1.79 4 formal hydrogen Thus, it that exhibits better antiradical than typical antioxidants such as resveratrol, ascorbic acid or Trolox lipid medium. The radical aqueous solution approximately 530 times faster similar resveratrol. suggests a promising physiological environments.