Natural Polyphenols Inhibit the Dimerization of the SARS-CoV-2 Main Protease: The Case of Fortunellin and Its Structural Analogs

3CL-Pro is the SARS-CoV-2 main protease (MPro). It acts as a homodimer to cleave the large polyprotein 1ab transcript into proteins that are necessary for viral growth and replication. 3CL-Pro has been one of the most studied SARS-CoV-2 proteins and a main target of therapeutics. A number of drug ca...

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Autors principals:	Athanasios A. Panagiotopoulos, Ioannis Karakasiliotis, Danai-Maria Kotzampasi, Marios Dimitriou, George Sourvinos, Marilena Kampa, Stergios Pirintsos, Elias Castanas, Vangelis Daskalakis
Format:	Artigo
Idioma:	Inglês
Publicat:	MDPI AG 2021-10-01
Col·lecció:	Molecules
Matèries:	SARS-CoV-2 COVID-19 molecular simulations metadynamics natural products
Accés en línia:	https://www.mdpi.com/1420-3049/26/19/6068
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