Characterization of the RNA-dependent RNA polymerase from Chikungunya virus and discovery of a novel ligand as a potential drug candidate

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Autor(es): dc.contributorUniversidade de São Paulo (USP)-
Autor(es): dc.contributorState University of Northern Rio de Janeiro Darcy Ribeiro (UENF)-
Autor(es): dc.contributorUniversidade Federal de Goiás (UFG)-
Autor(es): dc.contributorUniversidade Federal de Uberlândia (UFU)-
Autor(es): dc.contributorUniversidade Estadual Paulista (UNESP)-
Autor(es): dc.contributorFederal University of Rio de Janeiro-
Autor(es): dc.contributorInstituto Aggeu Magalhaes (IAM-FIOCRUZ)-
Autor(es): dc.creatorFreire, Marjorie C. L. C.-
Autor(es): dc.creatorBasso, Luis G. M.-
Autor(es): dc.creatorMendes, Luis F. S.-
Autor(es): dc.creatorMesquita, Nathalya C. M. R.-
Autor(es): dc.creatorMottin, Melina-
Autor(es): dc.creatorFernandes, Rafaela S.-
Autor(es): dc.creatorPolicastro, Lucca R.-
Autor(es): dc.creatorGodoy, Andre S.-
Autor(es): dc.creatorSantos, Igor A.-
Autor(es): dc.creatorRuiz, Uriel E. A.-
Autor(es): dc.creatorCaruso, Icaro P.-
Autor(es): dc.creatorSousa, Bruna K. P.-
Autor(es): dc.creatorJardim, Ana C. G.-
Autor(es): dc.creatorAlmeida, Fabio C. L.-
Autor(es): dc.creatorGil, Laura H. V. G.-
Autor(es): dc.creatorAndrade, Carolina H.-
Autor(es): dc.creatorOliva, Glaucius-
Data de aceite: dc.date.accessioned2025-08-21T19:50:43Z-
Data de disponibilização: dc.date.available2025-08-21T19:50:43Z-
Data de envio: dc.date.issued2023-03-01-
Data de envio: dc.date.issued2023-03-01-
Data de envio: dc.date.issued2022-11-30-
Fonte completa do material: dc.identifierhttp://dx.doi.org/10.1038/s41598-022-14790-x-
Fonte completa do material: dc.identifierhttp://hdl.handle.net/11449/240318-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/11449/240318-
Descrição: dc.descriptionChikungunya virus (CHIKV) is the causative agent of Chikungunya fever, an acute febrile and arthritogenic illness with no effective treatments available. The development of effective therapeutic strategies could be significantly accelerated with detailed knowledge of the molecular components behind CHIKV replication. However, drug discovery is hindered by our incomplete understanding of their main components. The RNA-dependent RNA-polymerase (nsP4-CHIKV) is considered the key enzyme of the CHIKV replication complex and a suitable target for antiviral therapy. Herein, the nsP4-CHIKV was extensively characterized through experimental and computational biophysical methods. In the search for new molecules against CHIKV, a compound designated LabMol-309 was identified as a strong ligand of the nsp4-CHIKV and mapped to bind to its active site. The antiviral activity of LabMol-309 was evaluated in cellular-based assays using a CHIKV replicon system and a reporter virus. In conclusion, this study highlights the biophysical features of nsP4-CHIKV and identifies a new compound as a promising antiviral agent against CHIKV infection.-
Descrição: dc.descriptionInstitute of Physics of Sao Carlos University of Sao Paulo, SP-
Descrição: dc.descriptionPhysical Sciences Laboratory State University of Northern Rio de Janeiro Darcy Ribeiro (UENF), RJ-
Descrição: dc.descriptionDepartament of Physics Ribeirao Preto School of Philosophy Science and Literature University of Sao Paulo, SP-
Descrição: dc.descriptionLaboratory for Molecular Modeling and Drug Design Labmol Faculty of Pharmacy Universidade Federal de Goiás, GO-
Descrição: dc.descriptionInstitute of Biomedical Sciences Federal University of Uberlandia, MG-
Descrição: dc.descriptionInstitute of Biosciences Humanities and Exact Sciences (Ibilce) Sao Paulo State University (Unesp), Campus Sao Jose do Rio Preto, SP-
Descrição: dc.descriptionInstitute of Medical Biochemistry (IBqM) Leopoldo de Meis National Center of Nuclear Magnetic Resonance Jiri Jonas Federal University of Rio de Janeiro, RJ-
Descrição: dc.descriptionNational Center of Nuclear Magnetic Resonance (CNRMN) Center of Structural Biology and Bioimaging (CENABIO) Federal University of Rio de Janeiro, RJ-
Descrição: dc.descriptionInstituto Aggeu Magalhaes (IAM-FIOCRUZ), PE-
Descrição: dc.descriptionInstitute of Biosciences Humanities and Exact Sciences (Ibilce) Sao Paulo State University (Unesp), Campus Sao Jose do Rio Preto, SP-
Idioma: dc.languageen-
Relação: dc.relationScientific Reports-
???dc.source???: dc.sourceScopus-
Título: dc.titleCharacterization of the RNA-dependent RNA polymerase from Chikungunya virus and discovery of a novel ligand as a potential drug candidate-
Tipo de arquivo: dc.typelivro digital-
Aparece nas coleções:Repositório Institucional - Unesp

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