Simultaneously discovering the fate and biochemical effects of pharmaceuticals through untargeted metabolomics.

ABSTRACT: Untargeted metabolomics is an established approach in toxicology for characterising endogenous metabolic responses to xenobiotic exposure. Detecting the xenobiotic and its biotransformation products as part of the metabolomics analysis provides an opportunity to simultaneously gain deep insights into its fate and metabolism, and to associate the internal relative dose directly with endogenous metabolic responses. This integration of untargeted exposure and response measurements into a single assay has yet to be fully demonstrated. Here we assemble a workflow to discover and analyse pharmaceutical-related measurements from routine untargeted UHPLC-MS metabolomics datasets, derived from in vivo (rat plasma and cardiac tissue, and human plasma) and in vitro (human cardiomyocytes) studies that

SUBMITTER: Bowen TJ 

PROVIDER: S-EPMC10400635 | biostudies-literature | 2023 Aug

REPOSITORIES: biostudies-literature