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Self-association features of NS1 proteins from different flaviviruses.
Poveda-Cuevas, Sergio A; Etchebest, Catherine; Barroso da Silva, Fernando L.
Afiliação
  • Poveda-Cuevas SA; Universidade de São Paulo, Programa Interunidades em Bioinformática, Rua do Matão, 1010, BR-05508-090 São Paulo, São Paulo, Brazil; Universidade de São Paulo, Departamento de Ciências Biomoleculares, Faculdade de Ciências Farmacêuticas de Ribeirão Preto, Av. do Café, s/no-Campus da USP, BR-14040-903 Ribeirão Preto, São Paulo, Brazil.
  • Etchebest C; Universidade de São Paulo, Programa Interunidades em Bioinformática, Rua do Matão, 1010, BR-05508-090 São Paulo, São Paulo, Brazil; Université Paris Cité, Biologie Intégrée du Globule Rouge, Equipe 2, INSERM, F-75015 Paris, France; University of São Paulo and Université de Paris International Laboratory in Structural Bioinformatics, Faculdade de Ciências Farmacêuticas de Ribeirão Preto, Av. do Café, s/no-Campus da USP, Bloco B, BR-14040-903 Ribeirão Preto, São Paulo, Brazil.
  • Barroso da Silva FL; Universidade de São Paulo, Programa Interunidades em Bioinformática, Rua do Matão, 1010, BR-05508-090 São Paulo, São Paulo, Brazil; Universidade de São Paulo, Departamento de Ciências Biomoleculares, Faculdade de Ciências Farmacêuticas de Ribeirão Preto, Av. do Café, s/no-Campus da USP, BR-14040-903 Ribeirão Preto, São Paulo, Brazil; Department of Chemical and Biomolecular Engineering, North Carolina State University, Raleigh, NC 27695, United States; University of São Paulo and Université de Pa
Virus Res ; 318: 198838, 2022 09.
Article em En | MEDLINE | ID: mdl-35662566
Flaviviruses comprise a large group of arboviral species that are distributed in several countries of the tropics, neotropics, and some temperate zones. Since they can produce neurological pathologies or vascular damage, there has been intense research seeking better diagnosis and treatments for their infections in the last decades. The flavivirus NS1 protein is a relevant clinical target because it is involved in viral replication, immune evasion, and virulence. Being a key factor in endothelial and tissue-specific modulation, NS1 has been largely studied to understand the molecular mechanisms exploited by the virus to reprogram host cells. A central part of the viral maturation processes is the NS1 oligomerization because many stages rely on these protein-protein assemblies. In the present study, the self-associations of NS1 proteins from Zika, Dengue, and West Nile viruses are examined through constant-pH coarse-grained biophysical simulations. Free energies of interactions were estimated for different oligomeric states and pH conditions. Our results show that these proteins can form both dimers and tetramers under conditions near physiological pH even without the presence of lipids. Moreover, pH plays an important role mainly controlling the regimes where van der Waals interactions govern their association. Finally, despite the similarity at the sequence level, we found that each flavivirus has a well-characteristic protein-protein interaction profile. These specific features can provide new hints for the development of binders both for better diagnostic tools and the formulation of new therapeutic drugs.
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Vírus do Nilo Ocidental / Flavivirus / Zika virus / Infecção por Zika virus Tipo de estudo: Risk_factors_studies Limite: Humans Idioma: En Revista: Virus Res Assunto da revista: VIROLOGIA Ano de publicação: 2022 Tipo de documento: Article País de afiliação: Brasil País de publicação: Holanda
Texto completo
Adicionar na Minha BVS
Imprimir
XML
PubMed Links
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Vírus do Nilo Ocidental / Flavivirus / Zika virus / Infecção por Zika virus Tipo de estudo: Risk_factors_studies Limite: Humans Idioma: En Revista: Virus Res Assunto da revista: VIROLOGIA Ano de publicação: 2022 Tipo de documento: Article País de afiliação: Brasil País de publicação: Holanda