Molecular dynamics, molecular docking, DFT, and ADMET investigations of the Co(II), Cu(II), and Zn(II) chelating on the antioxidant activity and SARS-CoV-2 main protease inhibition of quercetin | Literature Database for Quercetin, Rutin, Isorhamnetin, and Their Related Compounds | Alps Pharmaceutical Ind. Co.,Ltd.

Literature Database for Quercetin, Rutin, Isorhamnetin, and Their Related Compounds

Molecular dynamics, molecular docking, DFT, and ADMET investigations of the Co(II), Cu(II), and Zn(II) chelating on the antioxidant activity and SARS-CoV-2 main protease inhibition of quercetin

Authors:: El Hassane Anouar

Reference:: Journal of Biomolecular Structure and Dynamics; 2024; 42; in press

DOI:: 10.1080/07391102.2023.2294372

See Abstract

Key Words:: Quercetin; quercetin-cobalt complex; quercetin-copper complex; quercetin-zinc complex; antioxidant; peroxiredoxin-5; Mpro; DFT; molecular docking; molecular dynamics simulation; ADMET

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