Untargeted Metabolomics Sheds Light on the Diversity of Major Classes of Secondary Metabolites in the Malpighiaceae Botanical Family
Autor(a) principal: | |
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Data de Publicação: | 2022 |
Outros Autores: | , , , , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UNESP |
Texto Completo: | http://dx.doi.org/10.3389/fpls.2022.854842 http://hdl.handle.net/11449/237731 |
Resumo: | Natural products produced by plants are one of the most investigated natural sources, which substantially contributed to the development of the natural products field. Even though these compounds are widely explored, the literature still lacks comprehensive investigations aiming to explore the evolution of secondary metabolites produced by plants, especially if classical methodologies are employed. The development of sensitive hyphenated techniques and computational tools for data processing has enabled the study of large datasets, being valuable assets for chemosystematic studies. Here, we describe a strategy for chemotaxonomic investigations using the Malpighiaceae botanical family as a model. Our workflow was based on MS/MS untargeted metabolomics, spectral searches, and recently described in silico classification tools, which were mapped into the latest molecular phylogeny accepted for this family. The metabolomic analysis revealed that different ionization modes and extraction protocols significantly impacted the chemical profiles, influencing the chemotaxonomic results. Spectral searches within public databases revealed several clades or genera-specific molecular families, being potential chemical markers for these taxa, while the in silico classification tools were able to expand the Malpighiaceae chemical space. The classes putatively annotated were used for ancestral character reconstructions, which recovered several classes of metabolites as homoplasies (i.e., non-exclusive) or synapomorphies (i.e., exclusive) for all sampled clades and genera. Our workflow combines several approaches to perform a comprehensive evolutionary chemical study. We expect it to be used on further chemotaxonomic investigations to expand chemical knowledge and reveal biological insights for compounds classes in different biological groups. |
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Untargeted Metabolomics Sheds Light on the Diversity of Major Classes of Secondary Metabolites in the Malpighiaceae Botanical FamilyChemotaxonomyMass spectrometryMetabolite annotationMetabolomicsEvolutionAncestral character reconstructionSystematicsMalpighialesNatural products produced by plants are one of the most investigated natural sources, which substantially contributed to the development of the natural products field. Even though these compounds are widely explored, the literature still lacks comprehensive investigations aiming to explore the evolution of secondary metabolites produced by plants, especially if classical methodologies are employed. The development of sensitive hyphenated techniques and computational tools for data processing has enabled the study of large datasets, being valuable assets for chemosystematic studies. Here, we describe a strategy for chemotaxonomic investigations using the Malpighiaceae botanical family as a model. Our workflow was based on MS/MS untargeted metabolomics, spectral searches, and recently described in silico classification tools, which were mapped into the latest molecular phylogeny accepted for this family. The metabolomic analysis revealed that different ionization modes and extraction protocols significantly impacted the chemical profiles, influencing the chemotaxonomic results. Spectral searches within public databases revealed several clades or genera-specific molecular families, being potential chemical markers for these taxa, while the in silico classification tools were able to expand the Malpighiaceae chemical space. The classes putatively annotated were used for ancestral character reconstructions, which recovered several classes of metabolites as homoplasies (i.e., non-exclusive) or synapomorphies (i.e., exclusive) for all sampled clades and genera. Our workflow combines several approaches to perform a comprehensive evolutionary chemical study. We expect it to be used on further chemotaxonomic investigations to expand chemical knowledge and reveal biological insights for compounds classes in different biological groups.Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Brazilian Fulbright CommissionGordon and Betty Moore FoundationU.S. National Institutes of Health for the CenterFederal AwardSao Paulo State Univ UNESP, Inst Chem, Dept Biochem & Organ Chem, NuBBE, Araraquara, BrazilUniv Calif, Collaborat Mass Spectrometry Innovat Ctr, Skaggs Sch Pharm & Pharmaceut Sci, San Diego, CA USARoyal Bot Gardens Kew, Sci, Ecosyst Stewardship, Divers & Livelihoods, Richmond, EnglandFeira St ana State Univ UEFS, Dept Biol Sci, Lamol Lab, Feira De Santana, BrazilFed Inst Educ, Sci & Technol Rondonia, IFRO, Ji Parana, BrazilMax Planck Inst Mol Plant Physiol, Potsdam, GermanyFed Univ Alfenas UNIFAL, Inst Chem, Alfenas, BrazilSao Paulo State Univ UNESP, Inst Chem, Dept Biochem & Organ Chem, NuBBE, Araraquara, BrazilFAPESP: 2013/07600-3CNPq: 2014/465637-0CNPq: 142014/2018-4FAPESP: 2017/19702-6FAPESP: 2019/08477-7FAPESP: 2018/24865-4Gordon and Betty Moore Foundation: GBMF7622U.S. National Institutes of Health for the Center: P41 GM103484U.S. National Institutes of Health for the Center: R01 GM107550Federal Award: DE-SC0021340Federal Award: 1070261-436503FAPESP: 2014/50926-0Frontiers Media SaUniversidade Estadual Paulista (UNESP)Univ CalifRoyal Bot Gardens KewFeira St ana State Univ UEFSFed Inst EducMax Planck Inst Mol Plant PhysiolFed Univ Alfenas UNIFALMannochio-Russo, Helena [UNESP]Almeida, Rafael F. deNunes, Wilhan D. G.Bueno, Paula C. P.Caraballo-Rodriguez, Andres M.Bauermeister, AnelizeDorrestein, Pieter C.Bolzani, Vanderlan S. [UNESP]2022-11-30T13:43:13Z2022-11-30T13:43:13Z2022-04-14info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article19http://dx.doi.org/10.3389/fpls.2022.854842Frontiers In Plant Science. Lausanne: Frontiers Media Sa, v. 13, 19 p., 2022.1664-462Xhttp://hdl.handle.net/11449/23773110.3389/fpls.2022.854842WOS:000796351500001Web of Sciencereponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengFrontiers In Plant Scienceinfo:eu-repo/semantics/openAccess2022-11-30T13:43:13Zoai:repositorio.unesp.br:11449/237731Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462022-11-30T13:43:13Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false |
dc.title.none.fl_str_mv |
Untargeted Metabolomics Sheds Light on the Diversity of Major Classes of Secondary Metabolites in the Malpighiaceae Botanical Family |
title |
Untargeted Metabolomics Sheds Light on the Diversity of Major Classes of Secondary Metabolites in the Malpighiaceae Botanical Family |
spellingShingle |
Untargeted Metabolomics Sheds Light on the Diversity of Major Classes of Secondary Metabolites in the Malpighiaceae Botanical Family Mannochio-Russo, Helena [UNESP] Chemotaxonomy Mass spectrometry Metabolite annotation Metabolomics Evolution Ancestral character reconstruction Systematics Malpighiales |
title_short |
Untargeted Metabolomics Sheds Light on the Diversity of Major Classes of Secondary Metabolites in the Malpighiaceae Botanical Family |
title_full |
Untargeted Metabolomics Sheds Light on the Diversity of Major Classes of Secondary Metabolites in the Malpighiaceae Botanical Family |
title_fullStr |
Untargeted Metabolomics Sheds Light on the Diversity of Major Classes of Secondary Metabolites in the Malpighiaceae Botanical Family |
title_full_unstemmed |
Untargeted Metabolomics Sheds Light on the Diversity of Major Classes of Secondary Metabolites in the Malpighiaceae Botanical Family |
title_sort |
Untargeted Metabolomics Sheds Light on the Diversity of Major Classes of Secondary Metabolites in the Malpighiaceae Botanical Family |
author |
Mannochio-Russo, Helena [UNESP] |
author_facet |
Mannochio-Russo, Helena [UNESP] Almeida, Rafael F. de Nunes, Wilhan D. G. Bueno, Paula C. P. Caraballo-Rodriguez, Andres M. Bauermeister, Anelize Dorrestein, Pieter C. Bolzani, Vanderlan S. [UNESP] |
author_role |
author |
author2 |
Almeida, Rafael F. de Nunes, Wilhan D. G. Bueno, Paula C. P. Caraballo-Rodriguez, Andres M. Bauermeister, Anelize Dorrestein, Pieter C. Bolzani, Vanderlan S. [UNESP] |
author2_role |
author author author author author author author |
dc.contributor.none.fl_str_mv |
Universidade Estadual Paulista (UNESP) Univ Calif Royal Bot Gardens Kew Feira St ana State Univ UEFS Fed Inst Educ Max Planck Inst Mol Plant Physiol Fed Univ Alfenas UNIFAL |
dc.contributor.author.fl_str_mv |
Mannochio-Russo, Helena [UNESP] Almeida, Rafael F. de Nunes, Wilhan D. G. Bueno, Paula C. P. Caraballo-Rodriguez, Andres M. Bauermeister, Anelize Dorrestein, Pieter C. Bolzani, Vanderlan S. [UNESP] |
dc.subject.por.fl_str_mv |
Chemotaxonomy Mass spectrometry Metabolite annotation Metabolomics Evolution Ancestral character reconstruction Systematics Malpighiales |
topic |
Chemotaxonomy Mass spectrometry Metabolite annotation Metabolomics Evolution Ancestral character reconstruction Systematics Malpighiales |
description |
Natural products produced by plants are one of the most investigated natural sources, which substantially contributed to the development of the natural products field. Even though these compounds are widely explored, the literature still lacks comprehensive investigations aiming to explore the evolution of secondary metabolites produced by plants, especially if classical methodologies are employed. The development of sensitive hyphenated techniques and computational tools for data processing has enabled the study of large datasets, being valuable assets for chemosystematic studies. Here, we describe a strategy for chemotaxonomic investigations using the Malpighiaceae botanical family as a model. Our workflow was based on MS/MS untargeted metabolomics, spectral searches, and recently described in silico classification tools, which were mapped into the latest molecular phylogeny accepted for this family. The metabolomic analysis revealed that different ionization modes and extraction protocols significantly impacted the chemical profiles, influencing the chemotaxonomic results. Spectral searches within public databases revealed several clades or genera-specific molecular families, being potential chemical markers for these taxa, while the in silico classification tools were able to expand the Malpighiaceae chemical space. The classes putatively annotated were used for ancestral character reconstructions, which recovered several classes of metabolites as homoplasies (i.e., non-exclusive) or synapomorphies (i.e., exclusive) for all sampled clades and genera. Our workflow combines several approaches to perform a comprehensive evolutionary chemical study. We expect it to be used on further chemotaxonomic investigations to expand chemical knowledge and reveal biological insights for compounds classes in different biological groups. |
publishDate |
2022 |
dc.date.none.fl_str_mv |
2022-11-30T13:43:13Z 2022-11-30T13:43:13Z 2022-04-14 |
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/10.3389/fpls.2022.854842 Frontiers In Plant Science. Lausanne: Frontiers Media Sa, v. 13, 19 p., 2022. 1664-462X http://hdl.handle.net/11449/237731 10.3389/fpls.2022.854842 WOS:000796351500001 |
url |
http://dx.doi.org/10.3389/fpls.2022.854842 http://hdl.handle.net/11449/237731 |
identifier_str_mv |
Frontiers In Plant Science. Lausanne: Frontiers Media Sa, v. 13, 19 p., 2022. 1664-462X 10.3389/fpls.2022.854842 WOS:000796351500001 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Frontiers In Plant Science |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
19 |
dc.publisher.none.fl_str_mv |
Frontiers Media Sa |
publisher.none.fl_str_mv |
Frontiers Media Sa |
dc.source.none.fl_str_mv |
Web of Science 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 |
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_version_ |
1797789862064029696 |