title: Electrochemical simulation of phase I metabolism for 21 drugs using four different working electrodes in an automated screening setup with MS detection.
abstract: BACKGROUND
  Electrochemical conversion of xenobiotics has been shown to mimic human phase I metabolism for a few compounds.
  
  
  METHODS
  Twenty-one compounds were analyzed with a semiautomated electrochemical setup and mass spectrometry detection.
  
  
  RESULTS
  The system was able to mimic some metabolic pathways, such as oxygen gain, dealkylation and deiodination, but many of the expected and known metabolites were not produced.
  
  
  CONCLUSIONS
  Electrochemical conversion is a useful approach for the preparative synthesis of some types of metabolites, but as a screening method for unknown phase I metabolites, the method is, in our opinion, inferior to incubation with human liver microsomes and in vivo experiments with laboratory animals, for example.
authors.affiliation: Section of Forensic Chemistry, Department of Forensic Medicine, Faculty of Health Sciences, University of Copenhagen, Frederik V's Vej 11, 2100 Copenhagen, Denmark.
authors.forename: Anders
authors.initials: A
authors.lastname: Just Pedersen
authors.forename: Lars
authors.initials: L
authors.lastname: Ambach
authors.forename: Stefan
authors.initials: S
authors.lastname: König
authors.forename: Wolfgang
authors.initials: W
authors.lastname: Weinmann
mesh_terms: D004563:Electrochemistry; D004566:Electrodes / Q000706:statistics & numerical data*; D006801:Humans; D013058:Mass Spectrometry / Q000379:methods*; D014363:Tryptamines / Q000737:chemistry*; D015262:Xenobiotics / Q000737:chemistry*
chemical_list: D014363:Tryptamines; D015262:Xenobiotics