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https://www.arca.fiocruz.br/handle/icict/42002
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COAGULATION MODIFIERS TARGETING SARS-COV-2 MAIN PROTEASE MPRO FOR COVID-19 TREATMENT: AN IN SILICO APPROACH
COVID-19
Infecções por Coronavirus
Proteínas de Transporte
Simulação por Computador
Estrutura Molecular
https://www.arca.fiocruz.br/handle/icict/40946
Afiliación
Fundação Oswaldo Cruz. Instituto Carlos Chagas. Curitiba, PR, Brasil.
Fundação Oswaldo Cruz. Instituto Carlos Chagas. Curitiba, PR, Brasil.
Fundação Oswaldo Cruz. Instituto Carlos Chagas. Curitiba, PR, Brasil.
Resumen en ingles
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.
DeCS
SARS-CoV-2COVID-19
Infecções por Coronavirus
Proteínas de Transporte
Simulação por Computador
Estrutura Molecular
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