Electrochemical simulation of phase I metabolism for 21 drugs using four different working electrodes in an automated screening setup with MS detection

TY - JOUR

T1 - Electrochemical simulation of phase I metabolism for 21 drugs using four different working electrodes in an automated screening setup with MS detection

AU - Pedersen, Anders Just

AU - Ambach, Lars

AU - König, Stefan

AU - Weinmann, Wolfgang

PY - 2014/10/1

Y1 - 2014/10/1

N2 - 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.

AB - 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.

U2 - 10.4155/bio.14.166

DO - 10.4155/bio.14.166

M3 - Journal article

C2 - 25411704

SN - 1757-6180

VL - 6

SP - 2607

EP - 2621

JO - Bioanalysis

JF - Bioanalysis

IS - 19

ER -