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Please use this identifier to cite or link to this item: http://hdl.handle.net/1843/59549
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dc.creatorIsabella Piassi Dias Godóipt_BR
dc.creatorWilliam Gustavo Limapt_BR
dc.creatorMoacyr Comar Juniorpt_BR
dc.creatorRicardo José Alvespt_BR
dc.creatorJaqueline Maria Siqueira Ferreirapt_BR
dc.creatorDe-Xin Kongpt_BR
dc.creatorAlex Gutterres Tarantopt_BR
dc.date.accessioned2023-10-17T18:16:50Z-
dc.date.available2023-10-17T18:16:50Z-
dc.date.issued2017-05-
dc.citation.volume28pt_BR
dc.citation.issue5pt_BR
dc.citation.spage895pt_BR
dc.citation.epage906pt_BR
dc.identifier.doi10.21577/0103-5053.20160242pt_BR
dc.identifier.issn0103-5053pt_BR
dc.identifier.urihttp://hdl.handle.net/1843/59549-
dc.description.resumoDengue virus (DENV) has been characterized as having great clinical importance in the world, as there is no specific treatment against this virus. The NS2B-NS3pro complex is essential for the replication and maturation of DENV and is a potential pharmacological target. The present study aims to evaluate and understand the interactions and affinities (via molecular docking/AutoDock Vina) of 16 peptidomimetic derivatives applied to a NS2B-NS3pro DENV-2 complex constructed by homology modeling (via SWISS-MODEL). Two compounds were selected as potential inhibitors of this protein complex. In addition, these compounds possess important interactions involving Ser135, Gly169 and Tyr161, which have been described previously to be fundamental to the recognition of inhibitors directed to this receptor. Thus, the involvement of these residues is significant pharmacologically because they may contribute to the inhibitory action of this molecular target against DENV.pt_BR
dc.format.mimetypepdfpt_BR
dc.languageengpt_BR
dc.publisherUniversidade Federal de Minas Geraispt_BR
dc.publisher.countryBrasilpt_BR
dc.publisher.departmentFAR - DEPARTAMENTO DE PRODUTOS FARMACÊUTICOSpt_BR
dc.publisher.initialsUFMGpt_BR
dc.relation.ispartofJournal of the Brazilian Chemical Society-
dc.rightsAcesso Abertopt_BR
dc.subjectDenguept_BR
dc.subjectInhibitorspt_BR
dc.subjectNS2B-NS3propt_BR
dc.subjectMolecular modelingpt_BR
dc.subject.otherDenguept_BR
dc.subject.otherInibidores enzimáticospt_BR
dc.subject.otherModelagem molecularpt_BR
dc.titleDocking and qm/mm studies of ns2b-ns3pro inhibitors: a molecular target against the dengue virus.pt_BR
dc.typeArtigo de Periódicopt_BR
dc.url.externahttps://www.scielo.br/j/jbchs/a/8BWLrKcWbBmNqXbnNf7B9kR/abstract/?lang=en#pt_BR
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