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Planta Med 2014; 80(12): 1036-1044
DOI: 10.1055/s-0034-1382951
Analytical Studies
Original Papers
Georg Thieme Verlag KG Stuttgart · New York

Feature Selection for the Identification of Antitumor Compounds in the Alcohol Total Extracts of Curcuma longa

Jian-Lan Jiang
Key Laboratory of Systems Bioengineering, Ministry of Education and Tianjin Key Laboratory of Biological and Pharmaceutical Engineering, Department of Pharmaceutical Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin, China
,
Zi-Dan Li
Key Laboratory of Systems Bioengineering, Ministry of Education and Tianjin Key Laboratory of Biological and Pharmaceutical Engineering, Department of Pharmaceutical Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin, China
,
Huan Zhang
Key Laboratory of Systems Bioengineering, Ministry of Education and Tianjin Key Laboratory of Biological and Pharmaceutical Engineering, Department of Pharmaceutical Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin, China
,
Yan Li
Key Laboratory of Systems Bioengineering, Ministry of Education and Tianjin Key Laboratory of Biological and Pharmaceutical Engineering, Department of Pharmaceutical Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin, China
,
Xiao-Hang Zhang
Key Laboratory of Systems Bioengineering, Ministry of Education and Tianjin Key Laboratory of Biological and Pharmaceutical Engineering, Department of Pharmaceutical Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin, China
,
Yi-fu Yuan
Key Laboratory of Systems Bioengineering, Ministry of Education and Tianjin Key Laboratory of Biological and Pharmaceutical Engineering, Department of Pharmaceutical Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin, China
,
Ying-jin Yuan
Key Laboratory of Systems Bioengineering, Ministry of Education and Tianjin Key Laboratory of Biological and Pharmaceutical Engineering, Department of Pharmaceutical Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin, China
› Author Affiliations
Further Information

Publication History

received 26 February 2013
revised 10 June 2014

accepted 01 July 2014

Publication Date:
21 August 2014 (online)

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Abstract

Antitumor activity has been reported for turmeric, the dried rhizome of Curcuma longa. This study proposes a new feature selection method for the identification of the antitumor compounds in turmeric total extracts. The chemical composition of turmeric total extracts was analyzed by gas chromatography-mass spectrometry (21 ingredients) and high-performance liquid chromatography-mass spectrometry (22 ingredients), and their cytotoxicity was detected through an 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide assay against HeLa cells. A support vector machine for regression and a generalized regression neural network were used to research the composition-activity relationship and were later combined with the mean impact value to identify the antitumor compounds. The results showed that six volatile constituents (three terpenes and three ketones) and seven nonvolatile constituents (five curcuminoids and two unknown ingredients) with high absolute mean impact values exhibited a significant correlation with the cytotoxicity against HeLa cells. With the exception of the two unknown ingredients, the identified 11 constituents have been reported to exhibit cytotoxicity. This finding indicates that the feature selection method may be a supplementary tool for the identification of active compounds from herbs.

Key words

Curcuma longa - Zingiberaceae - GC-MS - HPLC-MS - composition-activity relationship model - mean impact value

Supporting Information

 

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