Please use this identifier to cite or link to this item: https://www.arca.fiocruz.br/handle/icict/42002
Title: Coagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approach
Authors: Biembengut, Ísis Venturi
Souza, Tatiana de Arruda Campos Brasil de
Affilliation: Fundação Oswaldo Cruz. Instituto Carlos Chagas. Curitiba, PR, Brasil.
Fundação Oswaldo Cruz. Instituto Carlos Chagas. Curitiba, PR, Brasil.
Abstract: Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection depends on viral polyprotein processing, catalysed by the main proteinase (Mpro). The solution of the SARS-CoV-2 Mpro structure allowed the investigation of potential inhibitors. This work aims to provide first evidences of the applicability of commercially approved drugs to treat coronavirus disease-19 (COVID-19). We screened 4,334 compounds to found potential inhibitors of SARS-CoV-2 replication using an in silico approach. Our results evidenced the potential use of coagulation modifiers in COVID-19 treatment due to the structural similarity of SARS-CoV-2 Mpro and human coagulation factors thrombin and Factor Xa. Further in vitro and in vivo analysis are needed to corroborate these results.
Keywords: Structure
Ligand binding
In silico approach
COVID-19
SARS-CoV-2 Mpro
keywords: Coronavírus
COVID-19
SARS-CoV-2
DeCS: SARS-CoV-2
COVID-19
Infecções por Coronavirus
Proteínas de Transporte
Simulação por Computador
Estrutura Molecular
Issue Date: 2020
Publisher: Fundação Oswaldo Cruz. Instituto Oswaldo Cruz
Citation: BIEMBENGUT, Ísis Venturi; SOUZA, Tatiana de Arruda Campos Brasil de. Coagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approach. Memórias do Instituto Oswaldo Cruz, Rio de Janeiro, v. 19, p. 1-4, 2020.
DOI: 10.1590/0074-02760200179
ISSN: 0074-0276
Copyright: open access
Appears in Collections:PR - ICC - Artigos de Periódicos

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