Cargando…
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...
Autores principales: | , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Instituto Oswaldo Cruz, Ministério da Saúde
2020
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7265679/ https://www.ncbi.nlm.nih.gov/pubmed/32490889 http://dx.doi.org/10.1590/0074-02760200179 |
_version_ | 1783541174771908608 |
---|---|
author | Biembengut, Ísis Venturi de Souza, Tatiana de Arruda Campos Brasil |
author_facet | Biembengut, Ísis Venturi de Souza, Tatiana de Arruda Campos Brasil |
author_sort | Biembengut, Ísis Venturi |
collection | PubMed |
description | 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. |
format | Online Article Text |
id | pubmed-7265679 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | Instituto Oswaldo Cruz, Ministério da Saúde |
record_format | MEDLINE/PubMed |
spelling | pubmed-72656792020-06-10 Coagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approach Biembengut, Ísis Venturi de Souza, Tatiana de Arruda Campos Brasil Mem Inst Oswaldo Cruz Short Communication 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. Instituto Oswaldo Cruz, Ministério da Saúde 2020-06-01 /pmc/articles/PMC7265679/ /pubmed/32490889 http://dx.doi.org/10.1590/0074-02760200179 Text en https://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution License |
spellingShingle | Short Communication Biembengut, Ísis Venturi de Souza, Tatiana de Arruda Campos Brasil Coagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approach |
title | Coagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approach |
title_full | Coagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approach |
title_fullStr | Coagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approach |
title_full_unstemmed | Coagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approach |
title_short | Coagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approach |
title_sort | coagulation modifiers targeting sars-cov-2 main protease mpro for covid-19 treatment: an in silico approach |
topic | Short Communication |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7265679/ https://www.ncbi.nlm.nih.gov/pubmed/32490889 http://dx.doi.org/10.1590/0074-02760200179 |
work_keys_str_mv | AT biembengutisisventuri coagulationmodifierstargetingsarscov2mainproteasemproforcovid19treatmentaninsilicoapproach AT desouzatatianadearrudacamposbrasil coagulationmodifierstargetingsarscov2mainproteasemproforcovid19treatmentaninsilicoapproach |