Mass spectrometry metabolomics and feature-based molecular networking reveals population-specific chemistry in some species of the Sceletium genus

Show simple item record Reddy, Kaylan Stander, Marietjie A. Stafford, Gary I. Makunga, Nokwanda P. 2022-11-01T09:39:44Z 2022-11-01T09:39:44Z 2022-03-29
dc.description.abstract The Sceletium genus has been of medicinal importance in southern Africa for millennia and Sceletium tortuosum (Aizoaceae), one of eight species in the genus has gained pharmaceutical importance as an anxiolytic and anti-depressant due to the presence of mesembrine alkaloids. S. tortuosum is used for the manufacture of herbal teas, dietary supplements and other phytopharmaceutical products. This study aimed to provide a metabolomic characterization of S. tortuosum and its sister species as these are not easy to distinguish using morphology alone. Plant samples were thus collected from various locations in the succulent Karoo (South Africa) and analyzed through liquid chromatography-mass spectrometry (LC-MS), using MSE fragmentation as a putative tool for chemical identities. Metabolomics-based analyses in combination with molecular networking were able to distinguish between the four species of Sceletium based on the presence of 4-(3,4-dimethyoxyphenyl)-4-[2-acetylmethlamino)ethyl]cyclohexanone (m/z 334.2020; RT 6.60 min), mesembrine (m/z 290.1757; RT 5.10 min) and 4’-O-demethylmesembrenol (m/z 276.1597; RT 4.17 min). Metabolomic profiles varied according to the different localities and metabolites occurred at variable quantitative levels in Sceletium ecotypes. Molecular networking provided the added advantage of being able to observe mesembrine alkaloid isomers and coeluting metabolites (from the joubertiamine group) that were difficult to discern without this application. By combining high-throughput metabolomics together with global and feature basedmolecular networking, a powerful metabolite profiling platform that is able to discern chemical patterns within and between populations was established. These techniques were able to reveal chemotaxonomic relationships and allowed for the discovery of chemical markers that may be used as part of monitoring protocols during the manufacture of phytopharmaceutical and dietary products based on Sceletium. en_US
dc.description.department Plant Production and Soil Science en_US
dc.description.librarian dm2022 en_US
dc.description.sponsorship The National Research Foundation of South Africa and Medical Research Council (South Africa). en_US
dc.description.uri en_US
dc.identifier.citation Reddy, K., Stander, M.A., Stafford, G.I. & Makunga, N.P. (2022) Mass Spectrometry Metabolomics and Feature-Based Molecular Networking Reveals Population-Specific Chemistry in Some Species of the Sceletium Genus. Frontiers in Nutrition 9:819753. doi: 10.3389/fnut.2022.819753. en_US
dc.identifier.issn 2296-861X (online)
dc.identifier.other 10.3389/fnut.2022.819753
dc.language.iso en en_US
dc.publisher Frontiers Media S.A. en_US
dc.rights © 2022 Reddy, Stander, Stafford and Makunga. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). en_US
dc.subject Alkaloid chemistry en_US
dc.subject Eco-metabolomics en_US
dc.subject Kanna en_US
dc.subject Kougoed en_US
dc.subject Mesembrine en_US
dc.subject Molecular networks en_US
dc.title Mass spectrometry metabolomics and feature-based molecular networking reveals population-specific chemistry in some species of the Sceletium genus en_US
dc.type Article en_US

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