The profiling of the metabolites of hirsutine in rat by ultra-high performance liquid chromatography coupled with linear ion trap Orbitrap mass spectrometry: An improved strategy for the systematic screening and identification of metabolites in multi-samples in vivo

doi:10.1016/j.jpba.2016.11.034

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	The profiling of the metabolites of hirsutine in rat by ultra-high performance liquid chromatography coupled with linear ion trap Orbitrap mass spectrometry: An improved strategy for the systematic screening and identification of metabolites in multi-samples in vivo
	Wang, Jianwei 1,2,3; Qi, Peng 2; Hou, Jinjun2 ; Shen, Yao 2; Yang, Min 2; Bi, Qirui 1,2; Deng, Yanping 2; Shi, Xiaojian 1,2; Feng, Ruihong 2; Feng, Zijin 2
刊名	JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
	2017-02-05
卷号	134 页码:149-157
关键词	Hirsutine Metabolic profile Multi-samples Metabolites systematic screening Uncaria rhynchophylla UHPLC/LTQ-Orbitrap-MS
ISSN号	0731-7085
DOI	10.1016/j.jpba.2016.11.034
文献子类	Article
英文摘要	Drug metabolites identification and construction of metabolic profile are meaningful work for the drug discovery and development. The great challenge during this process is the work of the structural clarification of possible metabolites in the complicated biological matrix, which often resulting in a huge amount data sets, especially in multi-samples in vivo. Analyzing these complex data manually is time-consuming and laborious. The object of this study was to develop a practical strategy for screening and identifying of metabolites from multiple biological samples efficiently. Using hirsutine (HTI), an active components of Uncaria rhynchophylla (Gouteng in Chinese) as a model and its plasma, urine, bile, feces and various tissues were analyzed with data processing software (Metwork), data mining tool (Progenesis QI), and HR-MSn data by ultra-high performance liquid chromatography/linear ion trap-Orbitrap mass spectrometry (U-HPLC/LTQ-Orbitrap-MS). A total of 67 metabolites of HTI in rat biological samples were tentatively identified with established library, and to our knowledge most of which were reported for the first time. The possible metabolic pathways were subsequently proposed, hydroxylation, dehydrogenation, oxidation, N-oxidation, hydrolysis, reduction and glucuronide conjugation were mainly involved according to metabolic profile. The result proved application of this improved strategy was efficient, rapid, and reliable for metabolic profiling of components in multiple biological samples and could significantly expand our understanding of metabolic situation of TCM in vivo. (C) 2016 Elsevier B.V. All rights reserved.
资助项目	National Natural Science Foundation of China[81403097] ; National Natural Science Foundation of China[81530095] ; National Science and Technology Major Project for Major Drug Development[2014ZX09304-307-001-007] ; Special Scientific Research in the Chinese Medicine Industry of State Administration of Traditional Chinese Medicine[201307002] ; Jiangsu Overseas Research &Training Program for University Prominent Young &Middle-aged Teachers and President[00000000]
WOS关键词	HUMAN INTESTINAL MICROFLORA ; UNCARIA-RHYNCHOPHYLLA ; TISSUE DISTRIBUTION ; INDOLE ALKALOIDS ; SMALL MOLECULES ; DRUG DISCOVERY ; DISPOSITION ; RESOLUTION ; BIOTRANSFORMATION ; METABOLOMICS
WOS研究方向	Chemistry ; Pharmacology & Pharmacy
语种	英语
出版者	ELSEVIER SCIENCE BV
WOS记录号	WOS:000392909900020
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/275634]
专题	上海中药现代化研究中心
通讯作者	Wu, Wanying; Guo, Dean
作者单位	1.China Pharmaceut Univ, Coll Tradit Chinese Med, Nanjing 210009, Jiangsu, Peoples R China; 2.Chinese Acad Sci, Shanghai Inst Mat Med, Natl Engn Lab TCM Standardizat Technol, Shanghai Res Ctr Modernizat Tradit Chinese Med, Haike Rd 501, Shanghai 201203, Peoples R China; 3.Nantong Vocat Univ, Sch Chem & Biol Engn, Nantong 226007, Peoples R China
推荐引用方式 GB/T 7714	Wang, Jianwei,Qi, Peng,Hou, Jinjun,et al. The profiling of the metabolites of hirsutine in rat by ultra-high performance liquid chromatography coupled with linear ion trap Orbitrap mass spectrometry: An improved strategy for the systematic screening and identification of metabolites in multi-samples in vivo[J]. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,2017,134:149-157.
APA	Wang, Jianwei.,Qi, Peng.,Hou, Jinjun.,Shen, Yao.,Yang, Min.,...&Guo, Dean.(2017).The profiling of the metabolites of hirsutine in rat by ultra-high performance liquid chromatography coupled with linear ion trap Orbitrap mass spectrometry: An improved strategy for the systematic screening and identification of metabolites in multi-samples in vivo.JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,134,149-157.
MLA	Wang, Jianwei,et al."The profiling of the metabolites of hirsutine in rat by ultra-high performance liquid chromatography coupled with linear ion trap Orbitrap mass spectrometry: An improved strategy for the systematic screening and identification of metabolites in multi-samples in vivo".JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS 134(2017):149-157.