Computer-assisted study of garlic organosulfur as antioxidant agents

DÍAZ, MARIO G.; ESTEBAN G. VEGA-HISSI; ANDRADA, MATÍAS F.; JUAN .C GARRO MARTINEZ

Advanced Pharmacy

Bentham Science

Año: 2023;

Although many sulfur-containing garlic compounds exhibit antioxidant activity, little is known about the molecular mechanisms through which these compounds react with reactive oxygen species. For this reason, in this chapter, we present a summary of various papers in which, the scavenging of hydrogen peroxide and hydroxyl radical by garlic compounds allyl methyl disulfide, allyl methyl sulfide, and diallyl sulfide are analyzed from a theoretical-quantum outlook. The thermodynamic and kinetic aspects of different proposed reactions were evaluated. The epoxidation, sulfonation, hydrogenation were some of the processes raised as possible reaction mechanisms. The main objective is to provide information for the design of new and more powerful antioxidant agents.