Lead Discovery of SARS-CoV-2 Main Protease Inhibitors through Covalent Docking-Based Virtual Screening.

Amendola, Giorgio; Ettari, Roberta; Previti, Santo; Di Chio, Carla; Messere, Anna; Di Maro, Salvatore; Hammerschmidt, Stefan J; Zimmer, Collin; Zimmermann, Robert A; Schirmeister, Tanja; Zappalà, Maria; Cosconati, Sandro

Amendola, Giorgio; Ettari, Roberta; Previti, Santo; Di Chio, Carla; Messere, Anna; Di Maro, Salvatore; Hammerschmidt, Stefan J; Zimmer, Collin; Zimmermann, Robert A; Schirmeister, Tanja; Zappalà, Maria; Cosconati, Sandro.

Afiliación

Amendola G; DiSTABiF, University of Campania Luigi Vanvitelli, Via Vivaldi 43, Caserta 81100, Italy.
Ettari R; Department of Chemical, Biological, Pharmaceutical, and Environmental Sciences, University of Messina, Viale Annunziata, Messina 98168, Italy.
Previti S; Department of Chemical, Biological, Pharmaceutical, and Environmental Sciences, University of Messina, Viale Annunziata, Messina 98168, Italy.
Di Chio C; Department of Chemical, Biological, Pharmaceutical, and Environmental Sciences, University of Messina, Viale Annunziata, Messina 98168, Italy.
Messere A; DiSTABiF, University of Campania Luigi Vanvitelli, Via Vivaldi 43, Caserta 81100, Italy.
Di Maro S; DiSTABiF, University of Campania Luigi Vanvitelli, Via Vivaldi 43, Caserta 81100, Italy.
Hammerschmidt SJ; Institute of Pharmaceutical and Biomedical Sciences, University of Mainz, Staudingerweg 5, Mainz 55128, Germany.
Zimmer C; Institute of Pharmaceutical and Biomedical Sciences, University of Mainz, Staudingerweg 5, Mainz 55128, Germany.
Zimmermann RA; Institute of Pharmaceutical and Biomedical Sciences, University of Mainz, Staudingerweg 5, Mainz 55128, Germany.
Schirmeister T; Institute of Pharmaceutical and Biomedical Sciences, University of Mainz, Staudingerweg 5, Mainz 55128, Germany.
Zappalà M; Department of Chemical, Biological, Pharmaceutical, and Environmental Sciences, University of Messina, Viale Annunziata, Messina 98168, Italy.
Cosconati S; DiSTABiF, University of Campania Luigi Vanvitelli, Via Vivaldi 43, Caserta 81100, Italy.

J Chem Inf Model ; 61(4): 2062-2073, 2021 04 26.

Article en En | MEDLINE | ID: mdl-33784094

Asunto(s)

COVID-19; Inhibidores de Proteasas; Antivirales/farmacología; Humanos; Simulación del Acoplamiento Molecular; Pandemias; Inhibidores de Proteasas/farmacología; SARS-CoV-2

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Inhibidores de Proteasas / COVID-19 Tipo de estudio: Diagnostic_studies / Prognostic_studies / Screening_studies Límite: Humans Idioma: En Revista: J Chem Inf Model Asunto de la revista: INFORMATICA MEDICA / QUIMICA Año: 2021 Tipo del documento: Article País de afiliación: Italia

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