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dc.contributor.authorSelegato, Denise M. [UNESP]
dc.contributor.authorFreire, Rafael T.
dc.contributor.authorTannüs, Alberto
dc.contributor.authorCastro-Gamboa, Ian [UNESP]
dc.date.accessioned2018-12-11T16:43:30Z
dc.date.available2018-12-11T16:43:30Z
dc.date.issued2016-08-01
dc.identifierhttp://dx.doi.org/10.5935/0103-5053.20160139
dc.identifier.citationJournal of the Brazilian Chemical Society, v. 27, n. 8, p. 1421-1431, 2016.
dc.identifier.issn1678-4790
dc.identifier.issn0103-5053
dc.identifier.urihttp://hdl.handle.net/11449/168890
dc.description.abstractThe search for new sources of natural products steadily increased the use of bioinformatic tools that enabled efficient analysis of complex matrices. In this context, dereplication methods emerged as a fast way of identifying known compounds, accelerating the identification of bioactive chemotypes. Although 1H NMR is widely used as an analytical technique, few studies have been reported using it as a dereplication tool, primarily because of the spectral complexity. This work aims to create a new computational method that analyses 1H NMR data from Fusarium solani and F. oxysporum isolated from Senna spectabilis's rhizosphere through principal component analysis (PCA). The algorithm uses loading values to select important peaks that distinguish both species in PCA, allowing compound dereplication, even in highly similar profles. As a result, the method, associated with other NMR experiments and information from an in-house Fusarium's metabolite library was able to distinguish different mycotoxins produced by both fungi, identifying fusaric acid and beauvericin for F. oxysporum and the depsipeptide HA23 from F. solani.en
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.format.extent1421-1431
dc.language.isoeng
dc.relation.ispartofJournal of the Brazilian Chemical Society
dc.sourceScopus
dc.subjectDereplication method
dc.subjectFusarium
dc.subjectNMR based metabolomics
dc.subjectPCA
dc.subjectSenna spectabilis
dc.titleNew dereplication method applied to NMR-based metabolomics on different fusarium species isolated from Rhizosphere of Senna spectabilisen
dc.typeArtigo
dc.contributor.institutionUniversidade Estadual Paulista (UNESP)
dc.contributor.institutionUniversidade de São Paulo (USP)
dc.description.affiliationNücleo de Bioensaios Biossíntese e Ecofsiologia de Produtos Naturais (NuBBE) Instituto de Química Universidade Estadual Paulista Jülio de Mesquita Filho (UNESP)
dc.description.affiliationCentro de Imagens e Espectroscopia in vivo por Ressonância Magnética (CIERMag) Instituto de Física Universidade de São Paulo (USP)
dc.description.affiliationUnespNücleo de Bioensaios Biossíntese e Ecofsiologia de Produtos Naturais (NuBBE) Instituto de Química Universidade Estadual Paulista Jülio de Mesquita Filho (UNESP)
dc.identifier.doi10.5935/0103-5053.20160139
dc.identifier.scieloS0103-50532016000801421
dc.rights.accessRightsAcesso aberto
dc.description.sponsorshipIdCNPq: 449523/2014-4
dc.identifier.scopus2-s2.0-84982718453
dc.identifier.fileS0103-50532016000801421.pdf
dc.relation.ispartofsjr0,357
dc.relation.ispartofsjr0,357
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