Metabolomics and Molecular Networking to Characterize the Chemical Space of Four Momordica Plant Species

Momordica plant species (Cucurbitaceae), have been used for centuries in traditional medicine and for nutritional purposes. Plants from this family are thus claimed to be phytochemically rich, representing an inexhaustible source of natural products. However, th...

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Autores principales:	Anza-Tshilidzi Ramabulana, Daniel Petras, Ntakadzeni E. Madala, Fidele Tugizimana
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	GNPS LC-MS metabolomics molecular networking <i>Momordica</i> natural products Microbiology QR1-502
Acceso en línea:	https://doaj.org/article/2b05a6c700cd48da9321525bf9255bf3
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id	oai:doaj.org-article:2b05a6c700cd48da9321525bf9255bf3
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spelling	oai:doaj.org-article:2b05a6c700cd48da9321525bf9255bf32021-11-25T18:20:44ZMetabolomics and Molecular Networking to Characterize the Chemical Space of Four <i>Momordica</i> Plant Species10.3390/metabo111107632218-1989https://doaj.org/article/2b05a6c700cd48da9321525bf9255bf32021-11-01T00:00:00Zhttps://www.mdpi.com/2218-1989/11/11/763https://doaj.org/toc/2218-1989<i>Momordica</i> plant species (<i>Cucurbitaceae</i>), have been used for centuries in traditional medicine and for nutritional purposes. Plants from this family are thus claimed to be phytochemically rich, representing an inexhaustible source of natural products. However, the chemical space of these <i>Momordica</i> species has not yet been fully decoded, and due to the inherent complexity of plant metabolomes, the characterization of the <i>Momordica</i> phytochemistry remains challenging. Thus, in this study we propose the use of molecular networking to unravel the molecular families within the metabolomes of four <i>Momordica</i> species (<i>M. cardiospermoides</i>, <i>M. balsamina</i>, <i>M. charantia</i> and <i>M. foetida</i>) and highlight the relevance of molecular networking in exploring the chemotaxonomy of these plants. In silico annotation tools (Network Annotation Propagation and DEREPLICATOR) and an unsupervised substructure identification tool (MS2LDA) were also explored to complement the classical molecular networking output and integration using MolNetEnhancer within GNPS. This allowed for the visualisation of chemical classes and the variety of substructures within the molecular families. The use of computational tools in this study highlighted various classes of metabolites, such as a wide range of flavonoids, terpenoids and lipids. Herein, these species are revealed to be phytochemically rich plants consisting of many biologically active metabolites differentially distributed within the different species, with the metabolome of <i>M. cardiospermoides</i> dereplicated in this paper for the first time.Anza-Tshilidzi RamabulanaDaniel PetrasNtakadzeni E. MadalaFidele TugizimanaMDPI AGarticleGNPSLC-MSmetabolomicsmolecular networking<i>Momordica</i>natural productsMicrobiologyQR1-502ENMetabolites, Vol 11, Iss 763, p 763 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	GNPS LC-MS metabolomics molecular networking <i>Momordica</i> natural products Microbiology QR1-502
spellingShingle	GNPS LC-MS metabolomics molecular networking <i>Momordica</i> natural products Microbiology QR1-502 Anza-Tshilidzi Ramabulana Daniel Petras Ntakadzeni E. Madala Fidele Tugizimana Metabolomics and Molecular Networking to Characterize the Chemical Space of Four <i>Momordica</i> Plant Species
description	<i>Momordica</i> plant species (<i>Cucurbitaceae</i>), have been used for centuries in traditional medicine and for nutritional purposes. Plants from this family are thus claimed to be phytochemically rich, representing an inexhaustible source of natural products. However, the chemical space of these <i>Momordica</i> species has not yet been fully decoded, and due to the inherent complexity of plant metabolomes, the characterization of the <i>Momordica</i> phytochemistry remains challenging. Thus, in this study we propose the use of molecular networking to unravel the molecular families within the metabolomes of four <i>Momordica</i> species (<i>M. cardiospermoides</i>, <i>M. balsamina</i>, <i>M. charantia</i> and <i>M. foetida</i>) and highlight the relevance of molecular networking in exploring the chemotaxonomy of these plants. In silico annotation tools (Network Annotation Propagation and DEREPLICATOR) and an unsupervised substructure identification tool (MS2LDA) were also explored to complement the classical molecular networking output and integration using MolNetEnhancer within GNPS. This allowed for the visualisation of chemical classes and the variety of substructures within the molecular families. The use of computational tools in this study highlighted various classes of metabolites, such as a wide range of flavonoids, terpenoids and lipids. Herein, these species are revealed to be phytochemically rich plants consisting of many biologically active metabolites differentially distributed within the different species, with the metabolome of <i>M. cardiospermoides</i> dereplicated in this paper for the first time.
format	article
author	Anza-Tshilidzi Ramabulana Daniel Petras Ntakadzeni E. Madala Fidele Tugizimana
author_facet	Anza-Tshilidzi Ramabulana Daniel Petras Ntakadzeni E. Madala Fidele Tugizimana
author_sort	Anza-Tshilidzi Ramabulana
title	Metabolomics and Molecular Networking to Characterize the Chemical Space of Four <i>Momordica</i> Plant Species
title_short	Metabolomics and Molecular Networking to Characterize the Chemical Space of Four <i>Momordica</i> Plant Species
title_full	Metabolomics and Molecular Networking to Characterize the Chemical Space of Four <i>Momordica</i> Plant Species
title_fullStr	Metabolomics and Molecular Networking to Characterize the Chemical Space of Four <i>Momordica</i> Plant Species
title_full_unstemmed	Metabolomics and Molecular Networking to Characterize the Chemical Space of Four <i>Momordica</i> Plant Species
title_sort	metabolomics and molecular networking to characterize the chemical space of four <i>momordica</i> plant species
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/2b05a6c700cd48da9321525bf9255bf3
work_keys_str_mv	AT anzatshilidziramabulana metabolomicsandmolecularnetworkingtocharacterizethechemicalspaceoffourimomordicaiplantspecies AT danielpetras metabolomicsandmolecularnetworkingtocharacterizethechemicalspaceoffourimomordicaiplantspecies AT ntakadzeniemadala metabolomicsandmolecularnetworkingtocharacterizethechemicalspaceoffourimomordicaiplantspecies AT fideletugizimana metabolomicsandmolecularnetworkingtocharacterizethechemicalspaceoffourimomordicaiplantspecies
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Metabolomics and Molecular Networking to Characterize the Chemical Space of Four <i>Momordica</i> Plant Species

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