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

Detalhes bibliográficos
Autor(a) principal: Biembengut, Ísis Venturi
Data de Publicação: 2020
Outros Autores: Souza, Tatiana de Arruda Campos Brasil de
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da FIOCRUZ (ARCA)
Texto Completo: https://www.arca.fiocruz.br/handle/icict/42002
Resumo: Fundação Oswaldo Cruz. Instituto Carlos Chagas. Curitiba, PR, Brasil.
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spelling Biembengut, Ísis VenturiSouza, Tatiana de Arruda Campos Brasil de2020-06-30T15:12:02Z2020-06-30T15:12:02Z2020BIEMBENGUT, 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, 2020.0074-0276https://www.arca.fiocruz.br/handle/icict/4200210.1590/0074-02760200179engFundação Oswaldo Cruz. Instituto Oswaldo Cruzhttps://www.arca.fiocruz.br/handle/icict/40946CoronavírusCOVID-19SARS-CoV-2StructureLigand bindingIn silico approachCOVID-19SARS-CoV-2 MproSARS-CoV-2COVID-19Infecções por CoronavirusProteínas de TransporteSimulação por ComputadorEstrutura MolecularCoagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approachinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleFundação Oswaldo Cruz. Instituto Carlos Chagas. Curitiba, PR, Brasil.Fundação Oswaldo Cruz. Instituto Carlos Chagas. Curitiba, PR, Brasil.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.info:eu-repo/semantics/openAccessreponame:Repositório Institucional da FIOCRUZ (ARCA)instname:Fundação Oswaldo Cruz (FIOCRUZ)instacron:FIOCRUZLICENSElicense.txtlicense.txttext/plain; charset=utf-83132https://www.arca.fiocruz.br/bitstream/icict/42002/1/license.txt70425d8cb6e40fdcf4edd2ef0660b45bMD51ORIGINALBiembengut_Ísis_ICC_2020_COVID-19.pdfBiembengut_Ísis_ICC_2020_COVID-19.pdfapplication/pdf1329112https://www.arca.fiocruz.br/bitstream/icict/42002/2/Biembengut_%c3%8dsis_ICC_2020_COVID-19.pdfda25bd4ae438f11400cc7b5faa044147MD52TEXTBiembengut_Ísis_ICC_2020_COVID-19.pdf.txtBiembengut_Ísis_ICC_2020_COVID-19.pdf.txtExtracted texttext/plain16647https://www.arca.fiocruz.br/bitstream/icict/42002/3/Biembengut_%c3%8dsis_ICC_2020_COVID-19.pdf.txt3f2eabab862aff1e048011d21d7fba98MD53icict/420022021-10-08 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dc.title.en.fl_str_mv 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
spellingShingle Coagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approach
Biembengut, Ísis Venturi
Coronavírus
COVID-19
SARS-CoV-2
Structure
Ligand binding
In silico approach
COVID-19
SARS-CoV-2 Mpro
SARS-CoV-2
COVID-19
Infecções por Coronavirus
Proteínas de Transporte
Simulação por Computador
Estrutura Molecular
title_short 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_sort Coagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approach
author Biembengut, Ísis Venturi
author_facet Biembengut, Ísis Venturi
Souza, Tatiana de Arruda Campos Brasil de
author_role author
author2 Souza, Tatiana de Arruda Campos Brasil de
author2_role author
dc.contributor.author.fl_str_mv Biembengut, Ísis Venturi
Souza, Tatiana de Arruda Campos Brasil de
dc.subject.other.pt_BR.fl_str_mv Coronavírus
COVID-19
SARS-CoV-2
topic Coronavírus
COVID-19
SARS-CoV-2
Structure
Ligand binding
In silico approach
COVID-19
SARS-CoV-2 Mpro
SARS-CoV-2
COVID-19
Infecções por Coronavirus
Proteínas de Transporte
Simulação por Computador
Estrutura Molecular
dc.subject.en.en.fl_str_mv Structure
Ligand binding
In silico approach
COVID-19
SARS-CoV-2 Mpro
dc.subject.decs.pt_BR.fl_str_mv SARS-CoV-2
COVID-19
Infecções por Coronavirus
Proteínas de Transporte
Simulação por Computador
Estrutura Molecular
description Fundação Oswaldo Cruz. Instituto Carlos Chagas. Curitiba, PR, Brasil.
publishDate 2020
dc.date.accessioned.fl_str_mv 2020-06-30T15:12:02Z
dc.date.available.fl_str_mv 2020-06-30T15:12:02Z
dc.date.issued.fl_str_mv 2020
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.citation.fl_str_mv 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.
dc.identifier.uri.fl_str_mv https://www.arca.fiocruz.br/handle/icict/42002
dc.identifier.issn.pt_BR.fl_str_mv 0074-0276
dc.identifier.doi.pt_BR.fl_str_mv 10.1590/0074-02760200179
identifier_str_mv 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.
0074-0276
10.1590/0074-02760200179
url https://www.arca.fiocruz.br/handle/icict/42002
dc.language.iso.fl_str_mv eng
language eng
dc.relation.isversionof.pt_BR.fl_str_mv https://www.arca.fiocruz.br/handle/icict/40946
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Fundação Oswaldo Cruz. Instituto Oswaldo Cruz
publisher.none.fl_str_mv Fundação Oswaldo Cruz. Instituto Oswaldo Cruz
dc.source.none.fl_str_mv reponame:Repositório Institucional da FIOCRUZ (ARCA)
instname:Fundação Oswaldo Cruz (FIOCRUZ)
instacron:FIOCRUZ
instname_str Fundação Oswaldo Cruz (FIOCRUZ)
instacron_str FIOCRUZ
institution FIOCRUZ
reponame_str Repositório Institucional da FIOCRUZ (ARCA)
collection Repositório Institucional da FIOCRUZ (ARCA)
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