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Discriminant Analysis of Traditional Chinese Medicinal Properties Based on Holistic Chemical Profiling by (1)H-NMR Spectrometry
Medicinal property, which is closely related to drug chemical profiling, is the essence of traditional Chinese medicine (TCM) theory and has always been the focus of modern Chinese medicine. Based on dozens of classic and commonly used TCM herbs with recognized medicinal properties, the present stud...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Hindawi
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7085404/ https://www.ncbi.nlm.nih.gov/pubmed/32215034 http://dx.doi.org/10.1155/2020/3141340 |
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author | Zhang, Jie Guo, Wenna Li, Qiao Sun, Faxin Xu, Xiaomeng Xu, Hui |
author_facet | Zhang, Jie Guo, Wenna Li, Qiao Sun, Faxin Xu, Xiaomeng Xu, Hui |
author_sort | Zhang, Jie |
collection | PubMed |
description | Medicinal property, which is closely related to drug chemical profiling, is the essence of traditional Chinese medicine (TCM) theory and has always been the focus of modern Chinese medicine. Based on dozens of classic and commonly used TCM herbs with recognized medicinal properties, the present study just aimed to investigate the feasibility and reliability of medicinal property discriminant by using (1)H-NMR spectrometry, which provided a mass of spectral data showing holistic chemical profile for multivariate analysis and data mining, including principal component analysis (PCA), Fisher linear discriminant analysis (FLDA), and canonical discriminant analysis (CDA). By using FLDA for two-class recognition, a large majority of test herbs (59/61) were properly discriminated as cold or hot group, and the only two exceptions were Chuanbeimu (Fritillariae Cirrhosae Bulbus) and Rougui (Cinnamomi Cortex), suggesting that medicinal properties interrelate with flavor and body tropism, and all these factors together bring up medicinal property and efficacy. While by performing CDA, 98.4% of the original grouped herbs and 77.0% of the leave-one-out cross-validated grouped cases were correctly classified. The findings demonstrated that discriminant analysis based on holistic chemical profiling data by (1)H-NMR spectrometry may provide a powerful alternative to have a deeper understanding of TCM medicinal property. |
format | Online Article Text |
id | pubmed-7085404 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | Hindawi |
record_format | MEDLINE/PubMed |
spelling | pubmed-70854042020-03-25 Discriminant Analysis of Traditional Chinese Medicinal Properties Based on Holistic Chemical Profiling by (1)H-NMR Spectrometry Zhang, Jie Guo, Wenna Li, Qiao Sun, Faxin Xu, Xiaomeng Xu, Hui Evid Based Complement Alternat Med Research Article Medicinal property, which is closely related to drug chemical profiling, is the essence of traditional Chinese medicine (TCM) theory and has always been the focus of modern Chinese medicine. Based on dozens of classic and commonly used TCM herbs with recognized medicinal properties, the present study just aimed to investigate the feasibility and reliability of medicinal property discriminant by using (1)H-NMR spectrometry, which provided a mass of spectral data showing holistic chemical profile for multivariate analysis and data mining, including principal component analysis (PCA), Fisher linear discriminant analysis (FLDA), and canonical discriminant analysis (CDA). By using FLDA for two-class recognition, a large majority of test herbs (59/61) were properly discriminated as cold or hot group, and the only two exceptions were Chuanbeimu (Fritillariae Cirrhosae Bulbus) and Rougui (Cinnamomi Cortex), suggesting that medicinal properties interrelate with flavor and body tropism, and all these factors together bring up medicinal property and efficacy. While by performing CDA, 98.4% of the original grouped herbs and 77.0% of the leave-one-out cross-validated grouped cases were correctly classified. The findings demonstrated that discriminant analysis based on holistic chemical profiling data by (1)H-NMR spectrometry may provide a powerful alternative to have a deeper understanding of TCM medicinal property. Hindawi 2020-03-09 /pmc/articles/PMC7085404/ /pubmed/32215034 http://dx.doi.org/10.1155/2020/3141340 Text en Copyright © 2020 Jie Zhang et al. http://creativecommons.org/licenses/by/4.0/ This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. |
spellingShingle | Research Article Zhang, Jie Guo, Wenna Li, Qiao Sun, Faxin Xu, Xiaomeng Xu, Hui Discriminant Analysis of Traditional Chinese Medicinal Properties Based on Holistic Chemical Profiling by (1)H-NMR Spectrometry |
title | Discriminant Analysis of Traditional Chinese Medicinal Properties Based on Holistic Chemical Profiling by (1)H-NMR Spectrometry |
title_full | Discriminant Analysis of Traditional Chinese Medicinal Properties Based on Holistic Chemical Profiling by (1)H-NMR Spectrometry |
title_fullStr | Discriminant Analysis of Traditional Chinese Medicinal Properties Based on Holistic Chemical Profiling by (1)H-NMR Spectrometry |
title_full_unstemmed | Discriminant Analysis of Traditional Chinese Medicinal Properties Based on Holistic Chemical Profiling by (1)H-NMR Spectrometry |
title_short | Discriminant Analysis of Traditional Chinese Medicinal Properties Based on Holistic Chemical Profiling by (1)H-NMR Spectrometry |
title_sort | discriminant analysis of traditional chinese medicinal properties based on holistic chemical profiling by (1)h-nmr spectrometry |
topic | Research Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7085404/ https://www.ncbi.nlm.nih.gov/pubmed/32215034 http://dx.doi.org/10.1155/2020/3141340 |
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