title: Metabolic fate analysis of Huang-Lian-Jie-Du Decoction in rat urine and feces by LC-IT-MS combining with LC-FT-ICR-MS: a feasible strategy for the metabolism study of Chinese medical formula.
abstract: 1. Huang-Lian-Jie-Du Decoction (HLJDD) is widely used for the treatment of hypertension, diabetes, inflammation and neural system diseases in clinic. In the present study, the comprehensive metabolic profile of HLJDD was demonstrated reliably and rapidly followed by the metabolic pathway analysis of six typical pure compounds (four alkaloids, one flavonoid and one iridoid) in HLJDD using LC-IT-MS combined with high resolution LC-FT-ICR-MS. 2. Totally, 85 compounds, including 32 prototype components and 53 biotransformed metabolites were detected and characterized in the urine and feces after oral administration of HLJDD and six pure compounds to rats, respectively. Among them, 17 prototypes were identified definitely with standard references. 3. Hydroxylation, demethylation and glucuronidation reactions of alkaloids, as well as glucuronidation and sulfonation reactions of iridoids and flavonoids, were observed as the major metabolic pathways of HLJDD. Flavonoids, iridoids and their metabolites were mainly excreted from urine. However, amount of alkaloids were detected in feces. 4. In general, the distinctive metabolic process of three kinds of representative components in HLJDD was clarified. The in vivo metabolic network of HLJDD was demonstrated. Meanwhile, the investigation of representative pure compounds in metabolic study provided a valuable strategy to elucidate the full-scale metabolic fate of HLJDD. This might be helpful to understand the in vivo mechanism of Traditional Chinese medicine (TCM).
authors.affiliation: a Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences , Beijing , China .|b Li Kang Hospital , Beijing , China .
authors.forename: Ran
authors.initials: R
authors.lastname: Zuo
authors.affiliation: a Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences , Beijing , China .|c Capital Medical University , Beijing , China .
authors.forename: Wei
authors.initials: W
authors.lastname: Ren
authors.affiliation: a Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences , Beijing , China .
authors.forename: Bao-Lin
authors.initials: BL
authors.lastname: Bian
authors.affiliation: a Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences , Beijing , China .
authors.forename: Hong-Jie
authors.initials: HJ
authors.lastname: Wang
authors.affiliation: c Capital Medical University , Beijing , China .
authors.forename: Yao-Nan
authors.initials: YN
authors.lastname: Wang
authors.affiliation: d State Key Laboratory of Quality Research in Chinese Medicine , Institute of Chinese Medical Sciences, University of Macau , Macao SAR , China .
authors.forename: Hao
authors.initials: H
authors.lastname: Hu
authors.affiliation: a Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences , Beijing , China .|e State Key Laboratory Breeding Base of Dao-di Herbs , China Academy of Chinese Medical Sciences , Beijng , China , and.|f Key Laboratory of Beijing for Identification and Safety Evaluation of Chinese Medicine , Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences , Beijing , China.
authors.forename: Hai-Yu
authors.initials: HY
authors.lastname: Zhao
authors.affiliation: a Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences , Beijing , China .
authors.forename: Nan
authors.initials: N
authors.lastname: Si
mesh_terms: D000470:Alkaloids / Q000652:urine; D000818:Animals; D002853:Chromatography, Liquid / Q000379:methods*; D004365:Drugs, Chinese Herbal / Q000737:chemistry / Q000378:metabolism*; D005243:Feces / Q000737:chemistry*; D005419:Flavonoids / Q000652:urine; D008297:Male; D013058:Mass Spectrometry / Q000379:methods*; D053858:Metabolic Networks and Pathways; D055442:Metabolome; D017207:Rats, Sprague-Dawley; D012015:Reference Standards; D014556:Urine / Q000737:chemistry*
chemical_list: D000470:Alkaloids; D004365:Drugs, Chinese Herbal; D005419:Flavonoids; C061676:oren gedoku to
keywords: Huang-Lian-Jie-Du Decoction; LC–IT-MS combined with LC–FT-ICR-MS; metabolic fate; urine and feces