ABSTRACT
Yerba mate (Ilex paraguariensis A.St. Hil) and jarilla (Larrea divaricata Cav.) leaves are commonly used as tea infu-sions in some Latin American countries. This study was con-ducted to evaluate the antioxidant activity (FRAP, ABTS, and DPPH) and the inhibitory potential of yerba mate and jarilla extracts on the 3CL protease (Mpro) from coronavirus SARS-COV-2 by a molecular docking approach. The main bioactive compounds present in the plant extracts were identified by HPLC-MS. According to the results, the extracts of yerba mate and jarilla showed high antioxidant activity in DPPH (> 91 %), ABTS (> 90 %), and FRAP (> 47 mg TE/g) assays. Additionally, the phenolic compounds present in yerba mate, quercetin-3-O-rutinoside (rutin) (-9.60 kcal/mol) and 3,4-dicaffeoylqui-nic acid (-8.20 kcal/mol) were more effective on Mpro than the antiviral drugs remdesivir and ribavirin. The compounds rutin and 3,4-dicaffeoylquinic acid have a high affinity and interaction with one of the catalytic residues Cys145 of Mpro. The glycosylation of phenolic compounds affects biological activities: positively anti-COVID-19 and negatively antio-xidant. The results suggest that extracts of yerba mate and jarilla leaves could enhance the body's antioxidant defenses and can be used to improve health.