Fluorescence spectroscopic and dynamics simulation studies on isoorientin binding with human serum albumin

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dc.contributor.authorCaruso, Ícaro Putinhon [UNESP]
dc.contributor.authorVilegas, Wagner [UNESP]
dc.contributor.authorCristante de Oliveira, Leandro [UNESP]
dc.contributor.authorCornélio, Marinônio Lopes [UNESP]
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.contributor.institutionUniversidade Federal do Rio de Janeiro (UFRJ)
dc.date.accessioned2020-12-12T01:46:57Z
dc.date.available2020-12-12T01:46:57Z
dc.date.issued2020-03-05
dc.description.abstractIsoorientin (ISOO) a glycosylated flavonoid found in acai berry exhibits relevant activities such as antidiabetic and antidepressant. However, its physicochemical action on any molecular target is scarcely known. In this work, we tackle the problem about the binding of ISOO to human serum albumin (HSA) applying fluorescence spectroscopy bimodal analysis aided by computational simulations. A static quenching process was detected having hypsochromic shift with implication in the polarizability around the endogenous probe (Trp 214) during complex formation. The binding mechanism reveals that all sites are equivalents and independents with binding constant value of 9.1 × 104 M-1 and, a total of six sites accessed whereas three of them were identified experimentally. The thermodynamic evaluation indicates that the complex formation is spontaneous (ΔG<0). The dynamics and docking simulations corroborated the experimental data by adding details of each site and its respective microenvironment.en
dc.description.affiliationDepartamento de Física Instituto de Biociências Letras e Ciências Exatas (IBILCE) UNESP, Rua Cristovão Colombo 2265
dc.description.affiliationCentro Nacional de Ressonância Magnética Nuclear de Macromoléculas Instituto de Bioquímica Média e Centro Nacional de Biologia Estrutural e Bioimagem (CENABIO) UFRJ, Ilha do Fundão
dc.description.affiliationLaboratório de Bioprospecção de Produtos Naturais (LBPN) Instituto de Biociências UNESP Praça Infante Dom Henrique
dc.description.affiliationUnespDepartamento de Física Instituto de Biociências Letras e Ciências Exatas (IBILCE) UNESP, Rua Cristovão Colombo 2265
dc.description.affiliationUnespLaboratório de Bioprospecção de Produtos Naturais (LBPN) Instituto de Biociências UNESP Praça Infante Dom Henrique
dc.description.sponsorshipCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
dc.description.sponsorshipUniversidade Estadual Paulista
dc.description.sponsorshipFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.description.sponsorshipIdFAPESP: 2017/08834-9
dc.description.sponsorshipIdCNPq: 442352/2014-0
dc.identifierhttp://dx.doi.org/10.1016/j.saa.2019.117738
dc.identifier.citationSpectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, v. 228.
dc.identifier.doi10.1016/j.saa.2019.117738
dc.identifier.issn1386-1425
dc.identifier.scopus2-s2.0-85075387339
dc.identifier.urihttp://hdl.handle.net/11449/199701
dc.language.isoeng
dc.relation.ispartofSpectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
dc.sourceScopus
dc.subjectAcai berry
dc.subjectBimodal analysis
dc.subjectComputational simulations
dc.subjectFlavonoid isoorientin
dc.subjectFluorescence spectroscopy
dc.subjectHuman albumin
dc.titleFluorescence spectroscopic and dynamics simulation studies on isoorientin binding with human serum albuminen
dc.typeArtigo

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Artigos - Física - IBILCE