Theoretical exploration on structures, bonding aspects and molecular docking of α-aminophosphonate ligated copper complexes against SARS-CoV-2 proteases

• Główni autorzy: Oval Yadav (Autor), Manjeet Kumar (Autor), Himanshi Mittal (Autor), Kiran Yadav (Autor), Veronique Seidel (Autor), Azaj Ansari (Autor)
• Format: Książka
• Wydane: Frontiers Media S.A., 2022-10-01T00:00:00Z.
• Hasła przedmiotowe: article
• Dostęp online: Connect to this object online.

Recent years have witnessed a growing interest in the biological activity of metal complexes of α-aminophosphonates. Here for the first time, a detailed DFT study on five α-aminophosphonate ligated mononuclear/dinuclear CuII complexes is reported using the dispersion corrected density functional (B3...