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. Materials & 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. Conclusion: 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.