title: Identification of metabolites in WZS-miniature pig urine after oral administration of Danshen decoction by HPLC coupled with diode array detection with electrospray ionization tandem ion trap and time-of-flight mass spectrometry.
abstract: Danshen (DS) is a widely used traditional Chinese medicine for treating cardiovascular and cerebrovascular diseases. A simple, rapid and sensitive method was developed for identification of the in vivo metabolites in urine of WZS-miniature pigs after oral administration of DS decoction by HPLC coupled with diode array detection with electrospray ionization tandem ion trap and time-of-flight mass spectrometry. This method has been successfully applied to simultaneous identification of 50 compounds (including 11 new ones) in pig urine. In addition, one new compound, (3-hydroxyphenyl) crylic acid glycine methyl ester (C1), along with eight known ones were first isolated by column chromatography and identified by spectroscopic means, including 1D/2DNMR and mass spectrometry, as reference substances. Ten phenolic compounds (protocatechuic aldehyde, protocatechuic acid, caffeic acid, danshensu, ferulic acid, isoferulic acid, rosmarinic acid and salvianolic acid A/B/D) were found to be the main absorbed original constituents of DS decoction, which underwent the metabolic reactions of glucuronidation, sulfation, methylation, hydrogenation and glycine conjugation in vivo. In conclusion, the developed method is applicable to the analysis and identification of constituents in biological matrices after administration of DS decoction.
authors.affiliation: State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing, 100191, The People's Republic of China.
authors.forename: Xin
authors.initials: X
authors.lastname: Zhao
authors.forename: Dong-Hui
authors.initials: DH
authors.lastname: Yang
authors.forename: Qi-Le
authors.initials: QL
authors.lastname: Zhou
authors.forename: Feng
authors.initials: F
authors.lastname: Xu
authors.forename: Lei
authors.initials: L
authors.lastname: Zhang
authors.forename: Jing
authors.initials: J
authors.lastname: Liang
authors.forename: Guang-Xue
authors.initials: GX
authors.lastname: Liu
authors.forename: Shao-Qing
authors.initials: SQ
authors.lastname: Cai
authors.forename: Xiu-Wei
authors.initials: XW
authors.lastname: Yang
mesh_terms: D000284:Administration, Oral; D000818:Animals; D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D004365:Drugs, Chinese Herbal / Q000008:administration & dosage / Q000737:chemistry / Q000378:metabolism; D053858:Metabolic Networks and Pathways; D008958:Models, Molecular; D010618:Phenanthrolines / Q000008:administration & dosage / Q000737:chemistry / Q000378:metabolism / Q000652:urine*; D027561:Salvia miltiorrhiza; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*; D013552:Swine; D013556:Swine, Miniature; D053719:Tandem Mass Spectrometry / Q000379:methods
chemical_list: D004365:Drugs, Chinese Herbal; D010618:Phenanthrolines; C028972:dan-shen root extract