Structure-Activity and Antioxidant Properties of Quercetin and Its Co2+ Chelate

Quercetin and its metal complexes have anti-oxidation, anti-bacterial, anti-tumor, and kinds of enzymatic activities. Studies in recent years, these activities are very important for health and pharmaceutics. The purpose of this manuscript is to determine the structure-activity relations and antioxidant properties of the Quercetin and Quercetin-Co2+ chelate from a theoretical view and to be used these compounds in the treatment of the diseases. We found that Quercetin is more stable than Quercetin-Co2+ chelate but Quercetin-Co2+ chelate is more conductive and the O22-H bond of the Quercetin molecule has the highest antioxidant activity. The remarkable electron delocalization occurred between the donor (C17-C19) anti bond and acceptor (C13-C15) anti bond with 319.62 kcal/mol stabilization energy in Quercetin.