Use of Support Vector Regression Based on Mean Impact Value Model to Identify Active Compounds in a Combination of Curcuma longa L. and Glycyrrhiza extracts

A support vector regression based on the mean impact value (MIV) model was constructed to identify the bioactive compounds inhibiting proliferation of HeLa cells in a combination of turmeric (Curcuma longa L.)and liquorice (Glycyrrhiza) extracts. The quantitative chemical fingerprint from 50 batches...

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Bibliographic Details
Published in:Transactions of Tianjin University 2017-05, Vol.23 (3), p.237-244
Main Authors: Jiang, Jianlan, Tan, Qingjie, Li, Weifeng, Du, Xinyun, Liu, Ningzhi
Format: Article
Language:English
Subjects:
Biocompatibility
Chromatography
compound
Curcuma
Cytotoxicity
Engineering
Herbal medicine
High performance liquid chromatography
Humanities and Social Sciences
identification
Support
impact
Ionization
Ions
L.
Glycyrrhiza
Active
longa
Mass spectrometry
Mechanical Engineering
Medicine
multidisciplinary
Quadrupoles
Regression analysis
regression
Mean
Research Article
Science
Support vector machines
Toxicity
value
vector
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Summary:A support vector regression based on the mean impact value (MIV) model was constructed to identify the bioactive compounds inhibiting proliferation of HeLa cells in a combination of turmeric (Curcuma longa L.)and liquorice (Glycyrrhiza) extracts. The quantitative chemical fingerprint from 50 batches of turmeric and liquorice extracts was established using high performance liquid chromatography hyphenated to an ultraviolet visible detector. Qualitative results were obtained using ultra performance liquid chromatography coupled with electrospray ionization quadrupole time-of-flight tandem mass spectrometry. A total of 46 peaks (peaks 1–15 from turmeric and 16–46 from liquorice) were selected as‘‘common peaks’’ for analysis. The inhibitory effect of the combined extracts on HeLa cells was measured by MTT(3-(4,5-dimethylthiazol-2-yl)-2,5diphenyltetrazolium bromide) assay. It was found that 15 compounds (peaks:8, 12, 30, 24, 46, 11, 14, 9, 3, 1, 44, 18, 7, 45 and 43)possessing high absolute MIV exhibited a significant correlation with the cytotoxicity against HeLa cells; most of these have already been confirmed with potential cytotoxicity in previous research. The important potential application of the present model can be extended to help discover active compounds from complex herbal medicine prior to traditional bioassay-guided separation.It is considered that this could be a useful tool for redeveloping herbal medicine based on the use of these active compounds.
ISSN:1006-4982
1995-8196
DOI:10.1007/s12209-017-0044-3