Coagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approach

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 a...

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Bibliographic Details
Published in:Memórias do Instituto Oswaldo Cruz 2020-01, Vol.115, p.e200179-e200179
Main Authors: Biembengut, Ísis Venturi, de Souza, Tatiana de Arruda Campos Brasil
Format: Article
Language:English
Subjects:
covid-19
in silico approach
ligand binding
mpro
PARASITOLOGY
sars-cov-2
Short Communication
structure
TROPICAL MEDICINE
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Summary: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.
ISSN:0074-0276
1678-8060
1678-8060
DOI:10.1590/0074-02760200179