Theoretical investigation of the anti-nitrosant mechanism of syringol and its derivatives.

ABSTRACT: The depolymerization of lignin is known to yield syringol and its derivatives, namely 4-allylsyringol, 4-propenylsyringol, and 4-propylsyringol, which have been demonstrated to exhibit strong antioxidant properties against HOO˙ radicals. However, the potential of these compounds as antinitrosants remains largely unexplored. Reactive nitrogen species (RNS), such as NO˙ and NOO˙ radicals, are equally as harmful as reactive oxygen species (ROS), contributing to an increased risk of diseases such as diabetes and neurodegenerative disorders. In this study, we employed a density functional theory (DFT) approach using the QM-ORSA protocol to comprehensively investigate the antinitrosant activity of these compounds in both polar and non-polar media, as well as the underlying scavenging mechanisms

SUBMITTER: Rusdipoetra RA 

PROVIDER: S-EPMC12442234 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature