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Metabolites Software-Assisted Flavonoid Hunting in Plants Using Ultra-High Performance Liquid Chromatography-Quadrupole-Time of Flight Mass Spectrometry
Plant secondary metabolism drives the generation of metabolites used for host plant resistance, as biopesticides and botanicals, even for the discovery of new therapeutics for human diseases. Flavonoids are one of the largest and most studied classes of specialized plant metabolites. To quickly iden...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6272731/ https://www.ncbi.nlm.nih.gov/pubmed/25738538 http://dx.doi.org/10.3390/molecules20033955 |
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author | Gu, Wan-Yi Li, Na Leung, Elaine Lai-Han Zhou, Hua Luo, Guo-An Liu, Liang Wu, Jian-Lin |
author_facet | Gu, Wan-Yi Li, Na Leung, Elaine Lai-Han Zhou, Hua Luo, Guo-An Liu, Liang Wu, Jian-Lin |
author_sort | Gu, Wan-Yi |
collection | PubMed |
description | Plant secondary metabolism drives the generation of metabolites used for host plant resistance, as biopesticides and botanicals, even for the discovery of new therapeutics for human diseases. Flavonoids are one of the largest and most studied classes of specialized plant metabolites. To quickly identify the potential bioactive flavonoids in herbs, a metabolites software-assisted flavonoid hunting approach was developed, which mainly included three steps: firstly, utilizing commercial metabolite software, a flavonoids database was established based on the biosynthetic pathways; secondly, mass spectral data of components in herbs were acquired by ultra-high performance liquid chromatography-quadrupole-time of flight mass spectrometry (UHPLC-Q-TOF-MS); and finally, the acquired LC-MS data were imported into the database and the compounds in the herbs were automatically identified by comparison of their mass spectra with the theoretical values. As a case study, the flavonoids in Smilax glabra were profiled using this approach. As a result, 104 flavonoids including 27 potential new compounds were identified. To our knowledge, this is the first report on profiling the components in the plants utilizing the plant metabolic principles with the assistance of metabolites software. This approach can be extended to the analysis of flavonoids in other plants. |
format | Online Article Text |
id | pubmed-6272731 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-62727312018-12-31 Metabolites Software-Assisted Flavonoid Hunting in Plants Using Ultra-High Performance Liquid Chromatography-Quadrupole-Time of Flight Mass Spectrometry Gu, Wan-Yi Li, Na Leung, Elaine Lai-Han Zhou, Hua Luo, Guo-An Liu, Liang Wu, Jian-Lin Molecules Article Plant secondary metabolism drives the generation of metabolites used for host plant resistance, as biopesticides and botanicals, even for the discovery of new therapeutics for human diseases. Flavonoids are one of the largest and most studied classes of specialized plant metabolites. To quickly identify the potential bioactive flavonoids in herbs, a metabolites software-assisted flavonoid hunting approach was developed, which mainly included three steps: firstly, utilizing commercial metabolite software, a flavonoids database was established based on the biosynthetic pathways; secondly, mass spectral data of components in herbs were acquired by ultra-high performance liquid chromatography-quadrupole-time of flight mass spectrometry (UHPLC-Q-TOF-MS); and finally, the acquired LC-MS data were imported into the database and the compounds in the herbs were automatically identified by comparison of their mass spectra with the theoretical values. As a case study, the flavonoids in Smilax glabra were profiled using this approach. As a result, 104 flavonoids including 27 potential new compounds were identified. To our knowledge, this is the first report on profiling the components in the plants utilizing the plant metabolic principles with the assistance of metabolites software. This approach can be extended to the analysis of flavonoids in other plants. MDPI 2015-03-02 /pmc/articles/PMC6272731/ /pubmed/25738538 http://dx.doi.org/10.3390/molecules20033955 Text en © 2015 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 license (http://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Gu, Wan-Yi Li, Na Leung, Elaine Lai-Han Zhou, Hua Luo, Guo-An Liu, Liang Wu, Jian-Lin Metabolites Software-Assisted Flavonoid Hunting in Plants Using Ultra-High Performance Liquid Chromatography-Quadrupole-Time of Flight Mass Spectrometry |
title | Metabolites Software-Assisted Flavonoid Hunting in Plants Using Ultra-High Performance Liquid Chromatography-Quadrupole-Time of Flight Mass Spectrometry |
title_full | Metabolites Software-Assisted Flavonoid Hunting in Plants Using Ultra-High Performance Liquid Chromatography-Quadrupole-Time of Flight Mass Spectrometry |
title_fullStr | Metabolites Software-Assisted Flavonoid Hunting in Plants Using Ultra-High Performance Liquid Chromatography-Quadrupole-Time of Flight Mass Spectrometry |
title_full_unstemmed | Metabolites Software-Assisted Flavonoid Hunting in Plants Using Ultra-High Performance Liquid Chromatography-Quadrupole-Time of Flight Mass Spectrometry |
title_short | Metabolites Software-Assisted Flavonoid Hunting in Plants Using Ultra-High Performance Liquid Chromatography-Quadrupole-Time of Flight Mass Spectrometry |
title_sort | metabolites software-assisted flavonoid hunting in plants using ultra-high performance liquid chromatography-quadrupole-time of flight mass spectrometry |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6272731/ https://www.ncbi.nlm.nih.gov/pubmed/25738538 http://dx.doi.org/10.3390/molecules20033955 |
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