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

dc.contributor.authorFreire, Marjorie C. L. C.
dc.contributor.authorBasso, Luis G. M.
dc.contributor.authorMendes, Luis F. S.
dc.contributor.authorMesquita, Nathalya C. M. R.
dc.contributor.authorMottin, Melina
dc.contributor.authorFernandes, Rafaela S.
dc.contributor.authorPolicastro, Lucca R.
dc.contributor.authorGodoy, Andre S.
dc.contributor.authorSantos, Igor A.
dc.contributor.authorRuiz, Uriel E. A.
dc.contributor.authorCaruso, Icaro P. [UNESP]
dc.contributor.authorSousa, Bruna K. P.
dc.contributor.authorJardim, Ana C. G. [UNESP]
dc.contributor.authorAlmeida, Fabio C. L.
dc.contributor.authorGil, Laura H. V. G.
dc.contributor.authorAndrade, Carolina H.
dc.contributor.authorOliva, Glaucius
dc.contributor.institutionUniversidade de São Paulo (USP)
dc.contributor.institutionState University of Northern Rio de Janeiro Darcy Ribeiro (UENF)
dc.contributor.institutionUniversidade Federal de Goiás (UFG)
dc.contributor.institutionUniversidade Federal de Uberlândia (UFU)
dc.contributor.institutionUniversidade Estadual Paulista (UNESP)
dc.contributor.institutionFederal University of Rio de Janeiro
dc.contributor.institutionInstituto Aggeu Magalhaes (IAM-FIOCRUZ)
dc.date.accessioned2023-03-01T20:11:46Z
dc.date.available2023-03-01T20:11:46Z
dc.date.issued2022-12-01
dc.description.abstractChikungunya 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.en
dc.description.affiliationInstitute of Physics of Sao Carlos University of Sao Paulo, SP
dc.description.affiliationPhysical Sciences Laboratory State University of Northern Rio de Janeiro Darcy Ribeiro (UENF), RJ
dc.description.affiliationDepartament of Physics Ribeirao Preto School of Philosophy Science and Literature University of Sao Paulo, SP
dc.description.affiliationLaboratory for Molecular Modeling and Drug Design Labmol Faculty of Pharmacy Universidade Federal de Goiás, GO
dc.description.affiliationInstitute of Biomedical Sciences Federal University of Uberlandia, MG
dc.description.affiliationInstitute of Biosciences Humanities and Exact Sciences (Ibilce) Sao Paulo State University (Unesp), Campus Sao Jose do Rio Preto, SP
dc.description.affiliationInstitute of Medical Biochemistry (IBqM) Leopoldo de Meis National Center of Nuclear Magnetic Resonance Jiri Jonas Federal University of Rio de Janeiro, RJ
dc.description.affiliationNational Center of Nuclear Magnetic Resonance (CNRMN) Center of Structural Biology and Bioimaging (CENABIO) Federal University of Rio de Janeiro, RJ
dc.description.affiliationInstituto Aggeu Magalhaes (IAM-FIOCRUZ), PE
dc.description.affiliationUnespInstitute of Biosciences Humanities and Exact Sciences (Ibilce) Sao Paulo State University (Unesp), Campus Sao Jose do Rio Preto, SP
dc.identifierhttp://dx.doi.org/10.1038/s41598-022-14790-x
dc.identifier.citationScientific Reports, v. 12, n. 1, 2022.
dc.identifier.doi10.1038/s41598-022-14790-x
dc.identifier.issn2045-2322
dc.identifier.scopus2-s2.0-85132579065
dc.identifier.urihttp://hdl.handle.net/11449/240318
dc.language.isoeng
dc.relation.ispartofScientific Reports
dc.sourceScopus
dc.titleCharacterization of the RNA-dependent RNA polymerase from Chikungunya virus and discovery of a novel ligand as a potential drug candidateen
dc.typeArtigopt
dspace.entity.typePublication
unesp.campusUniversidade Estadual Paulista (UNESP), Instituto de Biociências, Letras e Ciências Exatas, São José do Rio Pretopt

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