title: Characterisation of the metabolism of pogostone in vitro and in vivo using liquid chromatography with mass spectrometry.
abstract: BACKGROUND
  Pogostone possesses potent anti-bacterial and anti-fungal activities and has been used for the quality control of essential oil of Pogostemon cablin. Pogostone is easily absorbed after oral administration but its metabolism in mammals remains elusive.
  
  
  OBJECTIVE
  To investigate the metabolic profile of pogostone in vitro and in vivo.
  
  
  METHODS
  High-performance liquid chromatography coupled with mass spectrometry (LC–MS) techniques were employed. Orbitrap MS and ion trap tandem mass spectrometry (MS/MS) were utilised to analyse the metabolism of pogostone by virtue of the high sensitivity and high selectivity in the measurement. In vitro experiment was carried out using rat liver microsomes while the in vivo study was conducted on rats, which were orally administered with pogostone (80 mg/kg).
  
  
  RESULTS
  In total, three mono-hydroxylated, one di-hydroxylated, one mono-oxygenated, one di-oxygenated metabolite, one hydrolysis and one hydroxy conjugated metabolites were found. In addition hydroxylation was demonstrated to be a major metabolic pathway of pogostone.
  
  
  CONCLUSIONS
  LC–MS was demonstrated to be a powerful tool for the metabolite identification of pogostone. The tentative identification of metabolites provides an insight for the metabolic clues of pogostone.
authors.forename: Yucui
authors.initials: Y
authors.lastname: Li
authors.forename: Ziren
authors.initials: Z
authors.lastname: Su
authors.forename: Shuhai
authors.initials: S
authors.lastname: Lin
authors.forename: Chuwen
authors.initials: C
authors.lastname: Li
authors.lastname: Ya Zhao
authors.forename: Xiang
authors.initials: X
authors.lastname: Gao
authors.forename: Yongquan
authors.initials: Y
authors.lastname: Lai
authors.forename: Xiaoli
authors.initials: X
authors.lastname: Wu
authors.forename: Hanzhi
authors.initials: H
authors.lastname: Wu
authors.forename: Zongwei
authors.initials: Z
authors.lastname: Cai
mesh_terms: D000818:Animals; D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D006900:Hydroxylation; D019686:Lamiaceae / Q000737:chemistry*; D008297:Male; D053858:Metabolic Networks and Pathways; D008862:Microsomes, Liver / Q000378:metabolism; D009822:Oils, Volatile / Q000032:analysis / Q000737:chemistry / Q000378:metabolism* / Q000493:pharmacokinetics; D010084:Oxidation-Reduction; D010938:Plant Oils / Q000737:chemistry; D051381:Rats; D017207:Rats, Sprague-Dawley; D012680:Sensitivity and Specificity; D053719:Tandem Mass Spectrometry / Q000379:methods*
chemical_list: D009822:Oils, Volatile; D010938:Plant Oils; C483658:Pogostone