ArticleMolecular systems biology2022
High-throughput metabolomics predicts drug-target relationships for eukaryotic proteins.
Article in Molecular systems biology, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.
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Who cites it
16 citing papers in PubMed, 28 citations in OpenAlex.
- Multiple Reaction Monitoring (MRM)-Based Targeted Kidney Metabolite Profiling of a Mouse Model of Hyperuricemia.Metabolites · 2026Article
- Applications of Metabolomics in the Development of Biomedicine and Biotechnology.Advances in experimental medicine and biology · 2026Review
- Mitochondrial metabolic reprogramming in colorectal cancer: mechanisms of resistance and future clinical interventions.Cell death discovery · 2025Review
- Stepping out of the dark: how metabolomics shed light on fungal biology.FEMS microbiology reviews · 2025Review
- Natural product virtual-interact-phenotypic target characterization: A novel approach demonstrated with Salvia miltiorrhiza extract.Journal of pharmaceutical analysis · 2025Article
- Review
- Plant Metabolomics: The Future of Anticancer Drug Discovery.Pharmaceuticals (Basel, Switzerland) · 2024Review
- The Art of Finding the Right Drug Target: Emerging Methods and Strategies.Pharmacological reviews · 2024Review
- The metabolic domestication syndrome of budding yeast.Proceedings of the National Academy of Sciences of the United States of America · 2024Article
- Portable capillary LC for in-line UV monitoring and MS detection: Comparable sensitivity and much lower solvent consumption.Journal of separation science · 2023Article
- Drug mechanism enrichment analysis improves prioritization of therapeutics for repurposing.BMC bioinformatics · 2023Article
- Systematic analysis of in-source modifications of primary metabolites during flow-injection time-of-flight mass spectrometry.Analytical biochemistry · 2023Article
- Article
- Virtual screening for small-molecule pathway regulators by image-profile matching.Cell systems · 2022Article
- High-throughput metabolomics predicts drug-target relationships for eukaryotic proteins.Molecular systems biology · 2022Article
- Metabolomics paves the way for improved drug target identification.Molecular systems biology · 2022Article
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Chemical probes are important tools for understanding biological systems. However, because of the huge combinatorial space of targets and potential compounds, traditional chemical screens cannot be applied systematically to find probes for all possible druggable targets. Here, we demonstrate a novel concept for overcoming this challenge by leveraging high-throughput metabolomics and overexpression to predict drug-target interactions. The metabolome profiles of yeast treated with 1,280 compounds from a chemical library were collected and compared with those of inducible yeast membrane protein overexpression strains. By matching metabolome profiles, we predicted which small molecules targeted which signaling systems and recovered known interactions. Drug-target predictions were generated across the 86 genes studied, including for difficult to study membrane proteins. A subset of those predictions were tested and validated, including the novel targeting of GPR1 signaling by ibuprofen. These results demonstrate the feasibility of predicting drug-target relationships for eukaryotic proteins using high-throughput metabolomics.
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