Effects of the Q80K Polymorphism on the Physicochemical Properties of Hepatitis C Virus Subtype 1a NS3 Protease

Detalhes bibliográficos
Autor(a) principal: Silva, Allan Peres da
Data de Publicação: 2019
Outros Autores: Antunes, Deborah, Torres, André Luiz Quintanilha, Caffarena, Ernesto Raul, Lampe, Elisabeth
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da FIOCRUZ (ARCA)
Texto Completo: https://www.arca.fiocruz.br/handle/icict/35175
Resumo: Fundação Oswaldo Cruz. Instituto Oswaldo Cruz. Laboratório de Hepatites Virais. Rio de Janeiro, RJ, Brasil.
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spelling Silva, Allan Peres daAntunes, DeborahTorres, André Luiz QuintanilhaCaffarena, Ernesto RaulLampe, Elisabeth2019-08-29T11:31:45Z2019-08-29T11:31:45Z2019SILVA, Alan Peres da et al. E ects of the Q80K Polymorphism on the Physicochemical Properties of Hepatitis C Virus Subtype 1a NS3 Protease. Viruses, v. 11, n. 691, p. 1-17, 2019.1999-4915https://www.arca.fiocruz.br/handle/icict/3517510.3390/v110806911999-4915engMDPIVírus da Hepatite BPolimorfismosSimulaçãoMolecular dynamicsAnálise de redeProtease NS3Variante Q80KHepatitis C virusQ80K variantPolymorphismsNS3 proteaseSimulationMolecular dynamicsNetwork analysisEffects of the Q80K Polymorphism on the Physicochemical Properties of Hepatitis C Virus Subtype 1a NS3 Proteaseinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleFundação Oswaldo Cruz. Instituto Oswaldo Cruz. Laboratório de Hepatites Virais. Rio de Janeiro, RJ, Brasil.Fundação Oswaldo Cruz. Instituto Oswaldo Cruz. Programa de Computação Científica. Rio de Janeiro, RJ, Brasil.Fundação Oswaldo Cruz. Instituto Oswaldo Cruz. Laboratório de Biologia Computacional e Sistemas. Rio de Janeiro, RJ, Brasil / Universidade Federal do Rio de Janeiro. Instituto de Química. Departamento de Bioquímica. Laboratório de Bioinformática. Rio de Janeiro, RJ, Brasil.Fundação Oswaldo Cruz. Instituto Oswaldo Cruz. Programa de Computação Científica. Rio de Janeiro, RJ, Brasil.Fundação Oswaldo Cruz. Instituto Oswaldo Cruz. Laboratório de Hepatites Virais. Rio de Janeiro, RJ, Brasil.Hepatitis C virus genotype 1a (HCV-1a) comprises clades I and II. The Q80K polymorphism is found predominantly in clade I but rarely in clade II. Here, we investigated whether natural polymorphisms in HCV-1a clade II entailed structural protein changes when occurrence of the Q80K variant was simulated. Based on HCV-1a clade I and II protein sequences, the structure of the HCV-1a Q80K mutant NS3-4A was obtained by comparative modeling. Its physicochemical properties were studied by molecular dynamics simulations and network analysis. Results demonstrate that, in the presence of the K80 variant, clade II protease polymorphisms A91 and S/G174 led to variations in hydrogen bond occupancies. Structural analyses revealed differences in (i) flexibility of the H57 catalytic residue on the NS3 protease and (ii) correlations between amino acids on the NS3 protease and the NS4A cofactor. The latter indicated possible destabilization of interactions, resulting in increased separation of these proteins. The present findings describe how the relationships between different HCV-1a NS3 protease amino acid residues could affect the appearance of viral variants and the existence of distinct genetic barriers to HCV-1a isolates.info:eu-repo/semantics/openAccessreponame:Repositório Institucional da FIOCRUZ (ARCA)instname:Fundação Oswaldo Cruz (FIOCRUZ)instacron:FIOCRUZLICENSElicense.txtlicense.txttext/plain; charset=utf-82991https://www.arca.fiocruz.br/bitstream/icict/35175/1/license.txt5a560609d32a3863062d77ff32785d58MD51ORIGINALElisabethLampe_AlanSilva_etal_IOC_2019.pdfElisabethLampe_AlanSilva_etal_IOC_2019.pdfapplication/pdf8706991https://www.arca.fiocruz.br/bitstream/icict/35175/2/ElisabethLampe_AlanSilva_etal_IOC_2019.pdfb05dd19b286557bf058816155d5ef732MD52TEXTElisabethLampe_AlanSilva_etal_IOC_2019.pdf.txtElisabethLampe_AlanSilva_etal_IOC_2019.pdf.txtExtracted 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dc.title.pt_BR.fl_str_mv Effects of the Q80K Polymorphism on the Physicochemical Properties of Hepatitis C Virus Subtype 1a NS3 Protease
title Effects of the Q80K Polymorphism on the Physicochemical Properties of Hepatitis C Virus Subtype 1a NS3 Protease
spellingShingle Effects of the Q80K Polymorphism on the Physicochemical Properties of Hepatitis C Virus Subtype 1a NS3 Protease
Silva, Allan Peres da
Vírus da Hepatite B
Polimorfismos
Simulação
Molecular dynamics
Análise de rede
Protease NS3
Variante Q80K
Hepatitis C virus
Q80K variant
Polymorphisms
NS3 protease
Simulation
Molecular dynamics
Network analysis
title_short Effects of the Q80K Polymorphism on the Physicochemical Properties of Hepatitis C Virus Subtype 1a NS3 Protease
title_full Effects of the Q80K Polymorphism on the Physicochemical Properties of Hepatitis C Virus Subtype 1a NS3 Protease
title_fullStr Effects of the Q80K Polymorphism on the Physicochemical Properties of Hepatitis C Virus Subtype 1a NS3 Protease
title_full_unstemmed Effects of the Q80K Polymorphism on the Physicochemical Properties of Hepatitis C Virus Subtype 1a NS3 Protease
title_sort Effects of the Q80K Polymorphism on the Physicochemical Properties of Hepatitis C Virus Subtype 1a NS3 Protease
author Silva, Allan Peres da
author_facet Silva, Allan Peres da
Antunes, Deborah
Torres, André Luiz Quintanilha
Caffarena, Ernesto Raul
Lampe, Elisabeth
author_role author
author2 Antunes, Deborah
Torres, André Luiz Quintanilha
Caffarena, Ernesto Raul
Lampe, Elisabeth
author2_role author
author
author
author
dc.contributor.author.fl_str_mv Silva, Allan Peres da
Antunes, Deborah
Torres, André Luiz Quintanilha
Caffarena, Ernesto Raul
Lampe, Elisabeth
dc.subject.other.pt_BR.fl_str_mv Vírus da Hepatite B
Polimorfismos
Simulação
Molecular dynamics
Análise de rede
Protease NS3
Variante Q80K
topic Vírus da Hepatite B
Polimorfismos
Simulação
Molecular dynamics
Análise de rede
Protease NS3
Variante Q80K
Hepatitis C virus
Q80K variant
Polymorphisms
NS3 protease
Simulation
Molecular dynamics
Network analysis
dc.subject.en.pt_BR.fl_str_mv Hepatitis C virus
Q80K variant
Polymorphisms
NS3 protease
Simulation
Molecular dynamics
Network analysis
description Fundação Oswaldo Cruz. Instituto Oswaldo Cruz. Laboratório de Hepatites Virais. Rio de Janeiro, RJ, Brasil.
publishDate 2019
dc.date.accessioned.fl_str_mv 2019-08-29T11:31:45Z
dc.date.available.fl_str_mv 2019-08-29T11:31:45Z
dc.date.issued.fl_str_mv 2019
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 SILVA, Alan Peres da et al. E ects of the Q80K Polymorphism on the Physicochemical Properties of Hepatitis C Virus Subtype 1a NS3 Protease. Viruses, v. 11, n. 691, p. 1-17, 2019.
dc.identifier.uri.fl_str_mv https://www.arca.fiocruz.br/handle/icict/35175
dc.identifier.issn.pt_BR.fl_str_mv 1999-4915
dc.identifier.doi.none.fl_str_mv 10.3390/v11080691
dc.identifier.eissn.none.fl_str_mv 1999-4915
identifier_str_mv SILVA, Alan Peres da et al. E ects of the Q80K Polymorphism on the Physicochemical Properties of Hepatitis C Virus Subtype 1a NS3 Protease. Viruses, v. 11, n. 691, p. 1-17, 2019.
1999-4915
10.3390/v11080691
url https://www.arca.fiocruz.br/handle/icict/35175
dc.language.iso.fl_str_mv eng
language eng
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv MDPI
publisher.none.fl_str_mv MDPI
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)
bitstream.url.fl_str_mv https://www.arca.fiocruz.br/bitstream/icict/35175/1/license.txt
https://www.arca.fiocruz.br/bitstream/icict/35175/2/ElisabethLampe_AlanSilva_etal_IOC_2019.pdf
https://www.arca.fiocruz.br/bitstream/icict/35175/3/ElisabethLampe_AlanSilva_etal_IOC_2019.pdf.txt
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repository.name.fl_str_mv Repositório Institucional da FIOCRUZ (ARCA) - Fundação Oswaldo Cruz (FIOCRUZ)
repository.mail.fl_str_mv repositorio.arca@fiocruz.br
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