title: UPLC-QTOF/MS-based screening and identification of the constituents and their metabolites in rat plasma and urine after oral administration of Glechoma longituba extract.
abstract: Glechoma longituba is a widely used traditional Chinese medicine (TCM) in treating various diseases; however, the in vivo integrated metabolism of its multiple bioactive components remains unknown. In this paper, ultra-performance liquid chromatography (UPLC) coupled to quadrupole time-of-flight (QTOF) and the MetaboLynx™ software combined with mass defect filtering (MDF) together provide unique high throughput capabilities for drug metabolism study, with excellent MS mass accuracy and enhanced MS(E) data acquisition. This rapid automated analysis method was successfully applied for screening and identification of the constituents absorbed and metabolized studies of G. longituba extract after oral administration to rats. The results showed that 21 parent components of G. longituba extract were absorbed into the blood circulation of the rats and a total of 80 metabolites of 9 parent compounds were tentatively detected in vivo by their MS spectra obtained at low or high collision energy scan with the comparison of the authentic standards and literature data. The developed method was simple and reliable, revealing that it could be used to rapid screen and identify the structures of active components responsible for pharmacological effects of G. longituba and to better clarify its action mechanism. This work suggests that the integrative metabolism approach makes a useful template for drug metabolism research of TCM.
authors.affiliation: Jiangsu Key Laboratory for TCM Formulae Research, Nanjing University of Chinese Medicine, 138 Xianlin Road, Nanjing 210046, PR China.
authors.forename: Shumao
authors.initials: S
authors.lastname: Ni
authors.forename: Dawei
authors.initials: D
authors.lastname: Qian
authors.forename: Jin-Ao
authors.initials: JA
authors.lastname: Duan
authors.forename: Jianming
authors.initials: J
authors.lastname: Guo
authors.forename: Er-Xin
authors.initials: EX
authors.lastname: Shang
authors.forename: Yan
authors.initials: Y
authors.lastname: Shu
authors.forename: Caifu
authors.initials: C
authors.lastname: Xue
mesh_terms: D000284:Administration, Oral; D000818:Animals; D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D004365:Drugs, Chinese Herbal; D019686:Lamiaceae / Q000737:chemistry*; D010936:Plant Extracts / Q000008:administration & dosage / Q000032:analysis* / Q000493:pharmacokinetics; D051381:Rats; D019032:Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization / Q000379:methods*; D053719:Tandem Mass Spectrometry
chemical_list: D004365:Drugs, Chinese Herbal; D010936:Plant Extracts