title: Correlative analysis of metabolite profiling of Danggui Buxue Tang in rat biological fluids by rapid resolution LC-TOF/MS.
abstract: In this work, the metabolite profiles of Danggui Buxue Tang (DBT) in rat bile and plasma were qualitatively described, and the possible metabolic pathways of DBT were subsequently proposed. Emphasis was put on correlative analysis of metabolite profiling in different biological fluids. After oral administration of DBT, bile and plasma samples were collected and pretreated by solid phase extraction. Rapid resolution liquid chromatography coupled to time-of-flight mass spectrometry (RRLC-TOFMS) was used for characterization of DBT-related compounds (parent compounds and metabolites) in biological matrices. A total of 142 metabolites were detected and tentatively identified from the drug-containing bile and plasma samples. Metabolite profiling shows that rat bile contained relatively more glutathione-derived conjugates, more saponins compounds and more diverse forms of metabolites than urine. The metabolite profile in plasma revealed that glucuronide conjugates of isoflavonoids, dimmers, acetylcysteine conjugates and parent form of phthalides, as well as saponin aglycones were the major circulating forms of DBT. Collectively, the metabolite profile analysis of DBT in different biological matrices provided a comprehensive understanding of the in vivo metabolic fates of constituents in DBT.
authors.affiliation: China Pharmaceutical University, Nanjing 210009, China.
authors.forename: Chang-Yin
authors.initials: CY
authors.lastname: Li
authors.forename: Lian-Wen
authors.initials: LW
authors.lastname: Qi
authors.forename: Ping
authors.initials: P
authors.lastname: Li
mesh_terms: D000111:Acetylcysteine / Q000031:analogs & derivatives / Q000032:analysis / Q000097:blood / Q000652:urine; D000818:Animals; D001572:Benzofurans / Q000032:analysis / Q000097:blood / Q000737:chemistry / Q000652:urine; D001646:Bile / Q000737:chemistry; D001711:Biotransformation; D002851:Chromatography, High Pressure Liquid; D019587:Dietary Supplements / Q000032:analysis; D004365:Drugs, Chinese Herbal / Q000737:chemistry / Q000493:pharmacokinetics*; D020719:Glucuronides / Q000032:analysis / Q000097:blood / Q000737:chemistry / Q000652:urine; D005978:Glutathione / Q000031:analogs & derivatives / Q000032:analysis / Q000097:blood / Q000652:urine; D007529:Isoflavones / Q000097:blood / Q000737:chemistry / Q000378:metabolism / Q000652:urine; D008297:Male; D055442:Metabolome / Q000187:drug effects*; D051381:Rats; D017207:Rats, Sprague-Dawley; D012503:Saponins / Q000032:analysis / Q000097:blood / Q000737:chemistry / Q000652:urine; D052616:Solid Phase Extraction; D021241:Spectrometry, Mass, Electrospray Ionization
chemical_list: D001572:Benzofurans; D004365:Drugs, Chinese Herbal; D020719:Glucuronides; D007529:Isoflavones; D012503:Saponins; C477279:danggui buxue decoction; C082022:phthalide; D005978:Glutathione; D000111:Acetylcysteine