title: Identification of the effective constituents for anti-inflammatory activity of Ju-Zhi-Jiang-Tang, an ancient traditional Chinese medicine formula.
abstract: The anti-inflammatory constituents of Ju-Zhi-Jiang-Tang (JZJT), a formula used for thousands of years in China, were identified by LC-MS and pharmacological activity evaluation. In this study, the whole extract of formula was separated into multiple components to facilitate the analytical process. To characterize their contributions to pharmacological activity of formula, activity indexes of constituents were proposed and calculated for the first time, which integrated the chemical and pharmacological information of multiple components. Among the 151 constituents detected in JZJT by LC-Q-TOF-MS and LC-IT-MS, a total number of 108 constituents were identified unambiguously or tentatively, including eighteen potential novel compounds. And, the structures of some constituents were confirmed by NMR. According to their activity indexes, polymethoxy flavones were indicated as the major active constituents responsible for the anti-inflammatory activity of JZJT. To verify the feasibility of activity indexes in predicting the active constituents, nine compounds with positive and negative index values were selected to validate their anti-inflammatory activity in vitro. The results showed that two polymethoxy flavones with higher positive index values, i.e., nobiletin and tangeretin can significantly exert anti-inflammatory effects, while other compounds with negative values did not show any activity. In conclusion, our results indicated the proposed approach might be an efficient and rapid way to identify active constituents of TCM formulae.
authors.affiliation: Pharmaceutical Informatics Institute, Zhejiang University, Zijingang Campus, No. 866 Yuhangtang Road, Hangzhou 310058, PR China. Electronic address: wangsf@zju.edu.cn.
authors.forename: Shufang
authors.initials: S
authors.lastname: Wang
authors.affiliation: Pharmaceutical Informatics Institute, Zhejiang University, Zijingang Campus, No. 866 Yuhangtang Road, Hangzhou 310058, PR China.
authors.forename: Pinghong
authors.initials: P
authors.lastname: Chen
authors.affiliation: Pharmaceutical Informatics Institute, Zhejiang University, Zijingang Campus, No. 866 Yuhangtang Road, Hangzhou 310058, PR China.
authors.forename: Wei
authors.initials: W
authors.lastname: Jiang
authors.affiliation: Pharmaceutical Informatics Institute, Zhejiang University, Zijingang Campus, No. 866 Yuhangtang Road, Hangzhou 310058, PR China.
authors.forename: Leihong
authors.initials: L
authors.lastname: Wu
authors.affiliation: Pharmaceutical Informatics Institute, Zhejiang University, Zijingang Campus, No. 866 Yuhangtang Road, Hangzhou 310058, PR China.
authors.forename: Lulin
authors.initials: L
authors.lastname: Chen
authors.affiliation: Pharmaceutical Informatics Institute, Zhejiang University, Zijingang Campus, No. 866 Yuhangtang Road, Hangzhou 310058, PR China.
authors.forename: Xiaohui
authors.initials: X
authors.lastname: Fan
authors.affiliation: Pharmaceutical Informatics Institute, Zhejiang University, Zijingang Campus, No. 866 Yuhangtang Road, Hangzhou 310058, PR China. Electronic address: mysky@zju.edu.cn.
authors.forename: Yi
authors.initials: Y
authors.lastname: Wang
authors.affiliation: Pharmaceutical Informatics Institute, Zhejiang University, Zijingang Campus, No. 866 Yuhangtang Road, Hangzhou 310058, PR China.
authors.forename: Yiyu
authors.initials: Y
authors.lastname: Cheng
mesh_terms: D000818:Animals; D000893:Anti-Inflammatory Agents / Q000737:chemistry* / Q000302:isolation & purification* / Q000494:pharmacology; D045744:Cell Line, Tumor; D002681:China; D002853:Chromatography, Liquid; D004365:Drugs, Chinese Herbal / Q000737:chemistry* / Q000494:pharmacology; D047309:Flavones / Q000737:chemistry / Q000302:isolation & purification / Q000494:pharmacology; D008264:Macrophages / Q000187:drug effects; D009682:Magnetic Resonance Spectroscopy; D013058:Mass Spectrometry; D051379:Mice; D010936:Plant Extracts / Q000737:chemistry / Q000494:pharmacology
chemical_list: D000893:Anti-Inflammatory Agents; D004365:Drugs, Chinese Herbal; D047309:Flavones; D010936:Plant Extracts
keywords: Activity index; Anti-inflammatory activity; Ju-Zhi-Jiang-Tang; Liquid chromatography–mass spectrometry; Multiple components; Traditional Chinese medicine formulae