The radical scavenging activity of 1-methyl-1,4-dihydronicotinamide: theoretical insights into the mechanism, kinetics and solvent effects.

ABSTRACT: 1,4-Dihydronicotinamide derivatives, including 1-methyl-1,4-dihydronicotinamide (MNAH), are derivatives of the active center of nicotinamide coenzyme (NADH) and are therefore potent radical scavengers. MNAH serves as a useful model of NADH that allows for modeling studies to address the activity of this important biomolecule. In this work, MNAH activity was evaluated against typical free radicals using quantum chemical calculations in physiological environments, with a secondary aim of comparing activity against two physiologically relevant radicals of markedly different stability, HO˙, and HOO˙, to establish which of these is a better model for assessing antioxidant capacity in physiological environments. The HO˙ + MNAH reaction exhibited diffusion-limited overall rate constants in all me

SUBMITTER: Vo QV 

PROVIDER: S-EPMC11578042 | biostudies-literature | 2024 Nov

REPOSITORIES: biostudies-literature