In Silico Studies of Some Isoflavonoids as Potential Candidates against COVID-19 Targeting Human ACE2 (hACE2) and Viral Main Protease (Mpro)

• Published in: Molecules (Basel, Switzerland) Vol. 26; no. 9; p. 2806
• Main Authors: Alesawy, Mohamed S., Abdallah, Abdallah E., Taghour, Mohammed S., Elkaeed, Eslam B., H. Eissa, Ibrahim, Metwaly, Ahmed M.
• Format: Journal Article
• Language: English
• Published: Basel MDPI AG 10.05.2021; MDPI
• Subjects: Binding energy; Binding sites; Coronaviruses; COVID-19; Crystallization; Enzymes; Flavonoids; Glycoproteins; human ACE2; Hydrogen bonds; Isoflavonoids; Ligands; main protease; Metabolites; Molecular docking; Molecular weight; Pharmacokinetics; Physicochemical properties; Plasma; Proteins; Seeds; Severe acute respiratory syndrome; Severe acute respiratory syndrome coronavirus 2; Toxicity; United States > US

The Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) caused the “COVID-19” disease that has been declared by WHO as a global emergency. The pandemic, which emerged in China and widespread all over the world, has no specific treatment till now. The reported antiviral activities of isoflav...