A Comprehensive Experimental and Theoretical Investigation of the Antioxidant Properties of Hispidin and Isohispidin.

ABSTRACT: This study provides a comprehensive analysis of the antioxidant activity of hispidin (His) and its tautomer isohispidin (IsoH) using DFT calculations, corroborated by experimental data. Under physiological conditions, both tautomers demonstrated significant scavenging capacity for the HO^• radical, with k_overall ranging from 4.48 × 10⁹ to 2.06 × 10¹⁰ M^-1 s^-1 in lipid media and 3.24 × 10¹⁰ M^-1 s^-1 in water. Mechanistic analysis revealed that the radical adduct formation (RAF) mechanism is dominant in lipid environments, whereas both RAF and single electron transfer (SET) operate nonselectively in water. Hispidin also exhibited strong scavenging capacity for the HOO^•

SUBMITTER: Boulebd H 

PROVIDER: S-EPMC11894650 | biostudies-literature | 2025 Mar

REPOSITORIES: biostudies-literature