Evaluation of Xa inhibitors as potential inhibitors of the SARS-CoV-2 Mpro protease.

Papaj, Katarzyna; Spychalska, Patrycja; Kapica, Patryk; Fischer, André; Nowak, Jakub; Bzówka, Maria; Sellner, Manuel; Lill, Markus A; Smiesko, Martin; Góra, Artur

Papaj, Katarzyna; Spychalska, Patrycja; Kapica, Patryk; Fischer, André; Nowak, Jakub; Bzówka, Maria; Sellner, Manuel; Lill, Markus A; Smiesko, Martin; Góra, Artur.

Afiliação

Papaj K; Tunneling Group, Biotechnology Centre, Silesian University of Technology, Gliwice, Poland.
Spychalska P; Tunneling Group, Biotechnology Centre, Silesian University of Technology, Gliwice, Poland.
Kapica P; Tunneling Group, Biotechnology Centre, Silesian University of Technology, Gliwice, Poland.
Fischer A; Department of Pharmaceutical Sciences, Computational Pharmacy, University of Basel, Basel, Switzerland.
Nowak J; Faculty of Biochemistry, Biophysics and Biotechnology, Department of Physical Biochemistry, Jagiellonian University, Krakow, Poland.
Bzówka M; Tunneling Group, Biotechnology Centre, Silesian University of Technology, Gliwice, Poland.
Sellner M; Department of Pharmaceutical Sciences, Computational Pharmacy, University of Basel, Basel, Switzerland.
Lill MA; Department of Pharmaceutical Sciences, Computational Pharmacy, University of Basel, Basel, Switzerland.
Smiesko M; Department of Pharmaceutical Sciences, Computational Pharmacy, University of Basel, Basel, Switzerland.
Góra A; Tunneling Group, Biotechnology Centre, Silesian University of Technology, Gliwice, Poland.

PLoS One ; 17(1): e0262482, 2022.

Article em En | MEDLINE | ID: mdl-35015795

Assuntos

Proteínas M de Coronavírus/antagonistas & inibidores; Inibidores do Fator Xa/química; SARS-CoV-2/metabolismo; Benzamidas/química; Benzamidas/metabolismo; Sítios de Ligação; COVID-19/virologia; Proteínas M de Coronavírus/metabolismo; Inibidores do Fator Xa/metabolismo; Humanos; Simulação de Dinâmica Molecular; Ligação Proteica; Estabilidade Proteica; Pirazóis/química; Pirazóis/metabolismo; Piridinas/química; Piridinas/metabolismo; Piridonas/química; Piridonas/metabolismo; Rivaroxabana/química; Rivaroxabana/metabolismo; SARS-CoV-2/isolamento & purificação; Tratamento Farmacológico da COVID-19

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Inibidores do Fator Xa / Proteínas M de Coronavírus / SARS-CoV-2 Limite: Humans Idioma: En Revista: PLoS One Ano de publicação: 2022 Tipo de documento: Article

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