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In silico search, chemical characterization and immunogenic evaluation of amino-terminated G4-PAMAM-HIV peptide complexes using three-dimensional models of the HIV-1 gp120 protein

2019Journal article Restricted access
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dc.contributor.authorRodríguez-Fonseca, Rolando Alberto
dc.contributor.authorBello, Martiniano
dc.contributor.authorMuñoz-Fernández, María Ángeles de los
dc.contributor.authorLuis Jiménez, José
dc.contributor.authorRojas-Hernández, Saúl
dc.contributor.authorFragoso-Vázquez, M.J.
dc.contributor.authorGutiérrez-Sánchez, Mara
dc.contributor.authorRodrigues, João
dc.contributor.authorCayetano-Castro, N.
dc.contributor.authorBorja-Urby, R.
dc.contributor.authorRodríguez-Cortés, Octavio
dc.contributor.authorGarcía-Machorro, Jazmín
dc.contributor.authorCorrea-Basurto, José
dc.date.accessioned2019-06-28T10:41:53Z
dc.date.available2019-06-28T10:41:53Z
dc.date.issued2019
dc.description.abstractPeptide epitopes have been widely used to develop synthetic vaccines and immunotherapies. However, peptide epitopes may exhibit poor absorption or immunogenicity due to their low molecular weights. Conversely, fourth-generation polyamidoamine (G4-PAMAM) dendrimers are nonimmunogenic and relatively nontoxic synthetic nanoparticles that have been used as adjuvants and nanocarriers of small peptides and to improve nasal absorption. Based on this information, we hypothesized that the combination of intranasal immunization and G4-PAMAM dendrimers would be useful for enhancing the antibody responses of HIV-1 gp120 peptide epitopes. Therefore, we first used structural data, peptide epitope predictors and docking and MD simulations on MHC-II to identify two peptide epitopes on the CD4 binding site of HIV-1 gp120. The formation of G4-PAMAM-peptide complexes was evaluated in silico (molecular docking studies using different G4-PAMAM conformations retrieved from MD simulations as well as the MMGBSA approach) and validated experimentally (electrophoresis, 1H NMR and cryo-TEM). Next, the G4-PAMAM dendrimer-peptide complexes were administered intranasally to groups of female BALB/cJ mice. The results showed that both peptides were immunogenic at the systemic and mucosal levels (nasal and vaginal), and G4-PAMAM dendrimer-peptide complexes improved IgG and IgA responses in serum and nasal washes. Thus, G4-PAMAM dendrimers have potential for use as adjuvants and nanocarriers of peptides.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationRodríguez-Fonseca, R. A., Bello, M., de los Muñoz-Fernández, M. Á., Jiménez, J. L., Rojas-Hernández, S., Fragoso-Vázquez, M. J., ... & Rodríguez-Cortés, O. (2019). In silico search, chemical characterization and immunogenic evaluation of amino-terminated G4-PAMAM-HIV peptide complexes using three-dimensional models of the HIV-1 gp120 protein. Colloids and Surfaces B: Biointerfaces, 177, 77-93.pt_PT
dc.identifier.doi10.1016/j.colsurfb.2019.01.034pt_PT
dc.identifier.issn0927-7765
dc.identifier.urihttp://hdl.handle.net/10400.13/2442
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherElsevierpt_PT
dc.subjectGp120pt_PT
dc.subjectPeptide epitopept_PT
dc.subjectG4-PAMAM dendrimerpt_PT
dc.subjectPeptide-dendrimer complexpt_PT
dc.subjectIntranasal administrationpt_PT
dc.subject.pt_PT
dc.subjectFaculdade de Ciências Exatas e da Engenhariapt_PT
dc.titleIn silico search, chemical characterization and immunogenic evaluation of amino-terminated G4-PAMAM-HIV peptide complexes using three-dimensional models of the HIV-1 gp120 proteinpt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.citation.endPage93pt_PT
oaire.citation.startPage77pt_PT
oaire.citation.titleColloids and Surfaces B: Biointerfacespt_PT
oaire.citation.volume177pt_PT
person.familyNameMuñoz-Fernández
person.familyNameRodrigues
person.givenNameMª Ángeles
person.givenNameJoão
person.identifier548431
person.identifier.ciencia-id361C-ABDD-87F4
person.identifier.ciencia-idA81C-620E-DD6A
person.identifier.orcid0000-0002-0813-4500
person.identifier.orcid0000-0003-4552-1953
person.identifier.ridB-6816-2008
person.identifier.scopus-author-id25931106800
person.identifier.scopus-author-id9233278800
rcaap.rightsrestrictedAccesspt_PT
rcaap.typearticlept_PT
relation.isAuthorOfPublication4d8ae1df-d617-4547-985e-4276a1fefeee
relation.isAuthorOfPublication53031fca-b2e7-4ce4-bda9-61e486da4547
relation.isAuthorOfPublication.latestForDiscovery53031fca-b2e7-4ce4-bda9-61e486da4547

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