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Targeted Isolation of Lignans from Trachelospermum asiaticum Using Molecular Networking and Hierarchical Clustering Analysis

High-resolution-mass-spectrometry (HR-MS) methods rapidly provide extensive structural information for the isolation of metabolites in natural products. However, they may occasionally provide more information than required and interfere with the targeted analysis of natural products. In this study,...

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Detalles Bibliográficos
Autores principales: Lee, Jiho, Yang, Hong Seok, Jeong, Hyogeun, Kim, Jung-Hwan, Yang, Heejung
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7175116/
https://www.ncbi.nlm.nih.gov/pubmed/32121489
http://dx.doi.org/10.3390/biom10030378
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author Lee, Jiho
Yang, Hong Seok
Jeong, Hyogeun
Kim, Jung-Hwan
Yang, Heejung
author_facet Lee, Jiho
Yang, Hong Seok
Jeong, Hyogeun
Kim, Jung-Hwan
Yang, Heejung
author_sort Lee, Jiho
collection PubMed
description High-resolution-mass-spectrometry (HR-MS) methods rapidly provide extensive structural information for the isolation of metabolites in natural products. However, they may occasionally provide more information than required and interfere with the targeted analysis of natural products. In this study, we aimed to selectively isolate lignans from Trachelospermum asiaticum by applying the Global Natural Product Social Molecular Networking (GNPS) platform and hierarchical clustering analysis (HCA). T. asiaticum, which contains lignans, triterpenoids and flavonoids that possess various biological activities, was analyzed in a data-dependent acquisition (DDA) analysis mode using HR-MS. The preprocessed MS spectra were applied not only to GNPS for molecular networking but also to HCA based on similarity patterns between two nodes. The combination of these two methods reliably helped in the targeted isolation of lignan-type metabolites, which are expected to possess potent anti-cancer or anti-inflammatory activities.
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spelling pubmed-71751162020-04-28 Targeted Isolation of Lignans from Trachelospermum asiaticum Using Molecular Networking and Hierarchical Clustering Analysis Lee, Jiho Yang, Hong Seok Jeong, Hyogeun Kim, Jung-Hwan Yang, Heejung Biomolecules Article High-resolution-mass-spectrometry (HR-MS) methods rapidly provide extensive structural information for the isolation of metabolites in natural products. However, they may occasionally provide more information than required and interfere with the targeted analysis of natural products. In this study, we aimed to selectively isolate lignans from Trachelospermum asiaticum by applying the Global Natural Product Social Molecular Networking (GNPS) platform and hierarchical clustering analysis (HCA). T. asiaticum, which contains lignans, triterpenoids and flavonoids that possess various biological activities, was analyzed in a data-dependent acquisition (DDA) analysis mode using HR-MS. The preprocessed MS spectra were applied not only to GNPS for molecular networking but also to HCA based on similarity patterns between two nodes. The combination of these two methods reliably helped in the targeted isolation of lignan-type metabolites, which are expected to possess potent anti-cancer or anti-inflammatory activities. MDPI 2020-03-01 /pmc/articles/PMC7175116/ /pubmed/32121489 http://dx.doi.org/10.3390/biom10030378 Text en © 2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Lee, Jiho
Yang, Hong Seok
Jeong, Hyogeun
Kim, Jung-Hwan
Yang, Heejung
Targeted Isolation of Lignans from Trachelospermum asiaticum Using Molecular Networking and Hierarchical Clustering Analysis
title Targeted Isolation of Lignans from Trachelospermum asiaticum Using Molecular Networking and Hierarchical Clustering Analysis
title_full Targeted Isolation of Lignans from Trachelospermum asiaticum Using Molecular Networking and Hierarchical Clustering Analysis
title_fullStr Targeted Isolation of Lignans from Trachelospermum asiaticum Using Molecular Networking and Hierarchical Clustering Analysis
title_full_unstemmed Targeted Isolation of Lignans from Trachelospermum asiaticum Using Molecular Networking and Hierarchical Clustering Analysis
title_short Targeted Isolation of Lignans from Trachelospermum asiaticum Using Molecular Networking and Hierarchical Clustering Analysis
title_sort targeted isolation of lignans from trachelospermum asiaticum using molecular networking and hierarchical clustering analysis
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7175116/
https://www.ncbi.nlm.nih.gov/pubmed/32121489
http://dx.doi.org/10.3390/biom10030378
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