New Dereplication Method Applied to NMR-Based Metabolomics on Different Fusarium Species Isolated from Rhizosphere of Senna spectabilis
Autor(a) principal: | |
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Data de Publicação: | 2016 |
Outros Autores: | , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Journal of the Brazilian Chemical Society (Online) |
Texto Completo: | http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532016000801421 |
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 profiles. 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. |
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New Dereplication Method Applied to NMR-Based Metabolomics on Different Fusarium Species Isolated from Rhizosphere of Senna spectabilisdereplication methodFusariumPCANMR based metabolomicsSenna 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 profiles. 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.Sociedade Brasileira de Química2016-08-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532016000801421Journal of the Brazilian Chemical Society v.27 n.8 2016reponame:Journal of the Brazilian Chemical Society (Online)instname:Sociedade Brasileira de Química (SBQ)instacron:SBQ10.5935/0103-5053.20160139info:eu-repo/semantics/openAccessSelegato,Denise M.Freire,Rafael T.Tannús,AlbertoCastro-Gamboa,Ianeng2016-08-19T00:00:00Zoai:scielo:S0103-50532016000801421Revistahttp://jbcs.sbq.org.brONGhttps://old.scielo.br/oai/scielo-oai.php||office@jbcs.sbq.org.br1678-47900103-5053opendoar:2016-08-19T00:00Journal of the Brazilian Chemical Society (Online) - Sociedade Brasileira de Química (SBQ)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. dereplication method Fusarium PCA NMR based metabolomics 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. |
author_facet |
Selegato,Denise M. Freire,Rafael T. Tannús,Alberto Castro-Gamboa,Ian |
author_role |
author |
author2 |
Freire,Rafael T. Tannús,Alberto Castro-Gamboa,Ian |
author2_role |
author author author |
dc.contributor.author.fl_str_mv |
Selegato,Denise M. Freire,Rafael T. Tannús,Alberto Castro-Gamboa,Ian |
dc.subject.por.fl_str_mv |
dereplication method Fusarium PCA NMR based metabolomics Senna spectabilis |
topic |
dereplication method Fusarium PCA NMR based metabolomics 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 profiles. 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 |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532016000801421 |
url |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532016000801421 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
10.5935/0103-5053.20160139 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
text/html |
dc.publisher.none.fl_str_mv |
Sociedade Brasileira de Química |
publisher.none.fl_str_mv |
Sociedade Brasileira de Química |
dc.source.none.fl_str_mv |
Journal of the Brazilian Chemical Society v.27 n.8 2016 reponame:Journal of the Brazilian Chemical Society (Online) instname:Sociedade Brasileira de Química (SBQ) instacron:SBQ |
instname_str |
Sociedade Brasileira de Química (SBQ) |
instacron_str |
SBQ |
institution |
SBQ |
reponame_str |
Journal of the Brazilian Chemical Society (Online) |
collection |
Journal of the Brazilian Chemical Society (Online) |
repository.name.fl_str_mv |
Journal of the Brazilian Chemical Society (Online) - Sociedade Brasileira de Química (SBQ) |
repository.mail.fl_str_mv |
||office@jbcs.sbq.org.br |
_version_ |
1750318178686205952 |