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.

• Tác giả: El Hassane Anouar
• Ngôn ngữ: eng
• Ký hiệu phân loại: 945.084 Reigns of Victor Emmanuel II and Umberto I, 1861–1900
• Thông tin xuất bản: England : Journal of biomolecular structure & dynamics , 2025
• Bộ sưu tập: NCBI
• ID: 173200

Tóm tắt

The natural flavonol quercetin (Q) is found in many vegetables, fruits, and beverages, and it is known as a strong antioxidant. Its metal ion chelation may increase its antioxidant activity. The present study aims to explore the Co(II), Cu(II), and Zn(II) chelating on the antioxidant effectiveness and severe acute respiratory syndrome coronavirus 2 (SARS‑CoV‑2) main protease (M