ArticleProceedings of the National Academy of Sciences of the United States of America2015
Integration of high-content screening and untargeted metabolomics for comprehensive functional annotation of natural product libraries.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 75 papers.
What it found
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Who cites it
75 citing papers in PubMed, 152 citations in OpenAlex.
- IDBac: an open-access web platform to identify bacteria and analyze relationships in culture collections using MALDI-TOF mass spectrometry.Nature communications · 2026Article
- Secondary metabolite profiling of rare Micromonospora spp. from cold desert of NW Himalayas via multi-omics analysis.Metabolomics : Official journal of the Metabolomic Society · 2026Article
- Mining Actinomycetes' Metabolomes and Genomes for Anti-Phytophthora infestans Compounds.Microbial biotechnology · 2025Article
- Diterpenoids from the genus Croton and their biological activities.Archives of pharmacal research · 2025Review
- The importance of verifying biological activity predictions in metabolomics studies of natural products: A case study on antimicrobial properties ofPhytochemistry letters · 2025Article
- Prediction of Bioactive Metabolites from AmericanJournal of natural products · 2025Article
- Harnessing Molecular and Bioactivity Network Analysis to Prioritize Antibacterial Compound Isolation From Ant-Associated Fungi.Phytochemical analysis : PCA · 2025Article
- Multi-omics approaches: transforming the landscape of natural product isolation.Functional & integrative genomics · 2025Review
- Bridging Ethnobotanical Knowledge and Multi-Omics Approaches for Plant-Derived Natural Product Discovery.Metabolites · 2025Review
- Mass-spectrometry based metabolomics: an overview of workflows, strategies, data analysis and applications.Proteome science · 2025Review
- Efficient constitution of a library of rotenoid analogs active againstRSC advances · 2025Article
- High-throughput protein crystallography to empower natural product-based drug discovery.Acta crystallographica. Section F, Structural biology communications · 2025Article
- Discovery of a Chimeric Polyketide Family as Cancer Immunogenic Chemotherapeutic Leads.Journal of the American Chemical Society · 2025Article
- Systematic data analysis pipeline for quantitative morphological cell phenotyping.Computational and structural biotechnology journal · 2024Review
- Natural product databases for drug discovery: Features and applications.Pharmaceutical science advances · 2024Review
- Connecting metabolome and phenotype: recent advances in functional metabolomics tools for the identification of bioactive natural products.Natural product reports · 2024Review
- NPAnalytical chemistry · 2024Article
- Functional annotation map of natural compounds in traditional Chinese medicines library: TCMs with myocardial protection as a case.Acta pharmaceutica Sinica. B · 2023Article
- MultiplexMS: A Mass Spectrometry-Based Multiplexing Strategy for Ultra-High-Throughput Analysis of Complex Mixtures.Analytical chemistry · 2023Article
- Review
15 more citing papers are in PubMed but not listed here.
Corrections and comments
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
Abstract
Traditional natural products discovery using a combination of live/dead screening followed by iterative bioassay-guided fractionation affords no information about compound structure or mode of action until late in the discovery process. This leads to high rates of rediscovery and low probabilities of finding compounds with unique biological and/or chemical properties. By integrating image-based phenotypic screening in HeLa cells with high-resolution untargeted metabolomics analysis, we have developed a new platform, termed Compound Activity Mapping, that is capable of directly predicting the identities and modes of action of bioactive constituents for any complex natural product extract library. This new tool can be used to rapidly identify novel bioactive constituents and provide predictions of compound modes of action directly from primary screening data. This approach inverts the natural products discovery process from the existing "grind and find" model to a targeted, hypothesis-driven discovery model where the chemical features and biological function of bioactive metabolites are known early in the screening workflow, and lead compounds can be rationally selected based on biological and/or chemical novelty. We demonstrate the utility of the Compound Activity Mapping platform by combining 10,977 mass spectral features and 58,032 biological measurements from a library of 234 natural products extracts and integrating these two datasets to identify 13 clusters of fractions containing 11 known compound families and four new compounds. Using Compound Activity Mapping we discovered the quinocinnolinomycins, a new family of natural products with a unique carbon skeleton that cause endoplasmic reticulum stress.
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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 OpenQuestion graph.