ArticleNature communications2023
Simultaneously discovering the fate and biochemical effects of pharmaceuticals through untargeted metabolomics.
Article in Nature communications, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
14 citing papers in PubMed, 26 citations in OpenAlex.
- Multi-Omics Analysis Identifies Tryptophan Metabolism and Glycolysis as Potential Pathways Involved in the Protective Effects of Tormentic Acid Against Metabolic Associated Fatty Liver Disease.Pharmacology research & perspectives · 2026Article
- Improving hepatic metabolic function with 3D iPSC-derived human hepatocytes.Cell biology and toxicology · 2026Article
- A versatile toolkit for drug metabolism studies with GNPS2: from drug development to clinical monitoring.Nature protocols · 2026Review
- Advanced Characterization of Environmental Pollutant Metabolism in Human Skin.Journal of xenobiotics · 2025Article
- Machine learning- and multilayer molecular network-assisted screening hunts fentanyl compounds.Science advances · 2025Article
- Discovering a predictive metabolic signature of drug-induced structural cardiotoxicity in cardiac microtissues.Archives of toxicology · 2025Article
- Serum metabolomics reveals systemic metabolic alterations of Graves' disease before and after antithyroid drug treatment.Endocrine connections · 2025Article
- Chaetocin, a Natural Inhibitor of Transketolase, Suppresses the Non-Oxidative Pentose Phosphate Pathway and Inhibits the Growth of Drug-Resistant Non-Small Cell Lung Cancer.Antioxidants (Basel, Switzerland) · 2025Article
- Multi-omics bioactivity profile-based chemical grouping and read-across: a case study with Daphnia magna and azo dyes.Archives of toxicology · 2024Article
- Metabolomics Simultaneously Derives Benchmark Dose Estimates and Discovers Metabolic Biotransformations in a Rat Bioassay.Chemical research in toxicology · 2024Article
- Common data models to streamline metabolomics processing and annotation, and implementation in a Python pipeline.PLoS computational biology · 2024Article
- Common data models to streamline metabolomics processing and annotation, and implementation in a Python pipeline.bioRxiv : the preprint server for biology · 2024Article
- Metabolites in the regulatory risk assessment of pesticides in the EU.Frontiers in toxicology · 2023Review
- An Extensive Metabolomics Workflow to Discover Cardiotoxin-Induced Molecular Perturbations in Microtissues.Metabolites · 2021Article
Corrections and comments
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Authors and funding
9 authors at 2 institutions in 1 country.
Funding
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 were principally designed to investigate endogenous metabolic responses to drug exposure. Our findings clearly demonstrate how untargeted metabolomics can discover extensive biotransformation maps, temporally-changing relative systemic exposure, and direct associations of endogenous biochemical responses to the internal dose.
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What Socratic holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the Socratic graph.