New dereplication method applied to NMR-based metabolomics on different fusarium species isolated from Rhizosphere of Senna spectabilis
Autor(a) principal: | |
---|---|
Data de Publicação: | 2016 |
Outros Autores: | , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UNESP |
Texto Completo: | http://dx.doi.org/10.5935/0103-5053.20160139 http://hdl.handle.net/11449/168890 |
Resumo: | The 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. |
id |
UNSP_08858399250a117d5b0c57e02ee442d3 |
---|---|
oai_identifier_str |
oai:repositorio.unesp.br:11449/168890 |
network_acronym_str |
UNSP |
network_name_str |
Repositório Institucional da UNESP |
repository_id_str |
2946 |
spelling |
New dereplication method applied to NMR-based metabolomics on different fusarium species isolated from Rhizosphere of Senna spectabilisDereplication methodFusariumNMR based metabolomicsPCASenna spectabilisThe 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.Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Nücleo de Bioensaios Biossíntese e Ecofsiologia de Produtos Naturais (NuBBE) Instituto de Química Universidade Estadual Paulista Jülio de Mesquita Filho (UNESP)Centro de Imagens e Espectroscopia in vivo por Ressonância Magnética (CIERMag) Instituto de Física Universidade de São Paulo (USP)Nücleo de Bioensaios Biossíntese e Ecofsiologia de Produtos Naturais (NuBBE) Instituto de Química Universidade Estadual Paulista Jülio de Mesquita Filho (UNESP)CNPq: 449523/2014-4Universidade Estadual Paulista (Unesp)Universidade de São Paulo (USP)Selegato, Denise M. [UNESP]Freire, Rafael T.Tannüs, AlbertoCastro-Gamboa, Ian [UNESP]2018-12-11T16:43:30Z2018-12-11T16:43:30Z2016-08-01info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article1421-1431application/pdfhttp://dx.doi.org/10.5935/0103-5053.20160139Journal of the Brazilian Chemical Society, v. 27, n. 8, p. 1421-1431, 2016.1678-47900103-5053http://hdl.handle.net/11449/16889010.5935/0103-5053.20160139S0103-505320160008014212-s2.0-84982718453S0103-50532016000801421.pdfScopusreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengJournal of the Brazilian Chemical Society0,3570,357info:eu-repo/semantics/openAccess2023-10-25T06:05:50Zoai:repositorio.unesp.br:11449/168890Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462023-10-25T06:05:50Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false |
dc.title.none.fl_str_mv |
New dereplication method applied to NMR-based metabolomics on different fusarium species isolated from Rhizosphere of Senna spectabilis |
title |
New dereplication method applied to NMR-based metabolomics on different fusarium species isolated from Rhizosphere of Senna spectabilis |
spellingShingle |
New dereplication method applied to NMR-based metabolomics on different fusarium species isolated from Rhizosphere of Senna spectabilis Selegato, Denise M. [UNESP] Dereplication method Fusarium NMR based metabolomics PCA Senna spectabilis |
title_short |
New dereplication method applied to NMR-based metabolomics on different fusarium species isolated from Rhizosphere of Senna spectabilis |
title_full |
New dereplication method applied to NMR-based metabolomics on different fusarium species isolated from Rhizosphere of Senna spectabilis |
title_fullStr |
New dereplication method applied to NMR-based metabolomics on different fusarium species isolated from Rhizosphere of Senna spectabilis |
title_full_unstemmed |
New dereplication method applied to NMR-based metabolomics on different fusarium species isolated from Rhizosphere of Senna spectabilis |
title_sort |
New dereplication method applied to NMR-based metabolomics on different fusarium species isolated from Rhizosphere of Senna spectabilis |
author |
Selegato, Denise M. [UNESP] |
author_facet |
Selegato, Denise M. [UNESP] Freire, Rafael T. Tannüs, Alberto Castro-Gamboa, Ian [UNESP] |
author_role |
author |
author2 |
Freire, Rafael T. Tannüs, Alberto Castro-Gamboa, Ian [UNESP] |
author2_role |
author author author |
dc.contributor.none.fl_str_mv |
Universidade Estadual Paulista (Unesp) Universidade de São Paulo (USP) |
dc.contributor.author.fl_str_mv |
Selegato, Denise M. [UNESP] Freire, Rafael T. Tannüs, Alberto Castro-Gamboa, Ian [UNESP] |
dc.subject.por.fl_str_mv |
Dereplication method Fusarium NMR based metabolomics PCA Senna spectabilis |
topic |
Dereplication method Fusarium NMR based metabolomics PCA Senna spectabilis |
description |
The 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. |
publishDate |
2016 |
dc.date.none.fl_str_mv |
2016-08-01 2018-12-11T16:43:30Z 2018-12-11T16:43:30Z |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://dx.doi.org/10.5935/0103-5053.20160139 Journal of the Brazilian Chemical Society, v. 27, n. 8, p. 1421-1431, 2016. 1678-4790 0103-5053 http://hdl.handle.net/11449/168890 10.5935/0103-5053.20160139 S0103-50532016000801421 2-s2.0-84982718453 S0103-50532016000801421.pdf |
url |
http://dx.doi.org/10.5935/0103-5053.20160139 http://hdl.handle.net/11449/168890 |
identifier_str_mv |
Journal of the Brazilian Chemical Society, v. 27, n. 8, p. 1421-1431, 2016. 1678-4790 0103-5053 10.5935/0103-5053.20160139 S0103-50532016000801421 2-s2.0-84982718453 S0103-50532016000801421.pdf |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Journal of the Brazilian Chemical Society 0,357 0,357 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
1421-1431 application/pdf |
dc.source.none.fl_str_mv |
Scopus reponame:Repositório Institucional da UNESP instname:Universidade Estadual Paulista (UNESP) instacron:UNESP |
instname_str |
Universidade Estadual Paulista (UNESP) |
instacron_str |
UNESP |
institution |
UNESP |
reponame_str |
Repositório Institucional da UNESP |
collection |
Repositório Institucional da UNESP |
repository.name.fl_str_mv |
Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP) |
repository.mail.fl_str_mv |
|
_version_ |
1797789501390585856 |