{"doi":"10.1101/2023.03.16.532988","title":"Bioactive Natural Product Discovery via Deuterium Adduct Bioactivity Screening","abstract":"<jats:title>Abstract</jats:title>\n                <jats:p>The discovery of bioactive natural products lies at the forefront of human medicine. The continued discovery of these molecules is imperative in the fight against infection and disease. While natural products have historically dominated the drug market, discovery in recent years has slowed significantly, partly due to limitations in current discovery methodologies. This work demonstrates a new workflow, Deuterium Adduct Bioactivity Screening (DABS), which pairs untargeted isotope labeling with whole cell binding assays for bioactive natural product discovery. DABS was validated and led to the discovery of a new isoprenyl guanidine alkaloid, zillamycin, which showed anti-cancer and anti-microbial activities. DABS thus represents a new workflow to accelerate discovery of natural products with a wide range of bioactive potential.</jats:p>","journal":null,"year":null,"id":590947,"datarank":0.0,"base_score":0.0,"endowment":0.0,"self_citation_contribution":0.0,"citation_network_contribution":0.0,"self_endowment_contribution":0.0,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":0,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":null,"is_data_producer":false,"deposit_databanks":null,"is_oa":false,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":null,"fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":1872,"name":"Y. Du","orcid":"0009-0009-3532-2580","position":1,"is_corresponding":false},{"id":1511942,"name":"S. Marinkovich","orcid":null,"position":2,"is_corresponding":false},{"id":596862,"name":"D. Gu","orcid":null,"position":3,"is_corresponding":false},{"id":1511943,"name":"J. Seidel","orcid":null,"position":4,"is_corresponding":false},{"id":706308,"name":"W. Zhang","orcid":"0009-0003-7137-7294","position":5,"is_corresponding":false},{"id":1511941,"name":"N.A. Zill","orcid":null,"position":0,"is_corresponding":false}],"reference_count":0,"raw_metadata":{"has_enrichment":true,"resolved":true,"title":"Bioactive Natural Product Discovery via Deuterium Adduct Bioactivity Screening","abstract":"<jats:title>Abstract</jats:title>\n                <jats:p>The discovery of bioactive natural products lies at the forefront of human medicine. The continued discovery of these molecules is imperative in the fight against infection and disease. While natural products have historically dominated the drug market, discovery in recent years has slowed significantly, partly due to limitations in current discovery methodologies. This work demonstrates a new workflow, Deuterium Adduct Bioactivity Screening (DABS), which pairs untargeted isotope labeling with whole cell binding assays for bioactive natural product discovery. DABS was validated and led to the discovery of a new isoprenyl guanidine alkaloid, zillamycin, which showed anti-cancer and anti-microbial activities. DABS thus represents a new workflow to accelerate discovery of natural products with a wide range of bioactive potential.</jats:p>","is_dataset_classified":null,"base_score":0.0,"endowment":0.0,"datacite_reuse_total":0,"file_count":0,"downloads":0,"views":0,"has_version_chain":false,"is_dataset":false,"is_oa":false,"pmid":"26657633","pmcid":null,"openalex_id":"https://openalex.org/W4327862425","authors":[],"funders":[],"total_grants":0,"fwci":null,"citation_percentile":null,"influential_citations":0,"citation_trend":[],"oa_status":"green","license":"cc-by-nc-nd","oa_locations":[{"url":"https://www.biorxiv.org/content/biorxiv/early/2023/03/17/2023.03.16.532988.full.pdf","host_type":"repository"},{"url":"https://www.biorxiv.org/content/biorxiv/early/2023/03/17/2023.03.16.532988.full.pdf","host_type":"repository"},{"url":"https://syndication.highwire.org/content/doi/10.1101/2023.03.16.532988","host_type":"publisher"},{"url":"http://dx.doi.org/10.1101/2023.03.16.532988","host_type":"repository"},{"url":"https://figshare.com/articles/journal_contribution/Bioactive_Natural_Product_Discovery_via_Deuterium_Adduct_Bioactivity_Screening/22726230","host_type":"repository"}],"fields_of_study":["Chemical Reactions and Isotopes","Microbial Natural Products and Biosynthesis","Chemical Synthesis and Analysis"],"mesh_terms":[],"keywords":["Drug discovery","Natural product","Adduct","Computational biology","Chemical space","Chemistry","Combinatorial chemistry","Biology","Biochemistry","Organic chemistry"],"sdg_mappings":[{"sdg_number":0,"sdg_label":"Good health and well-being"}],"linked_datasets":[],"clinical_trials":[],"software_tools":[],"database_accessions":[],"source":"live","citation_network_status":"fetched"},"created_at":"2026-07-25T13:17:00.619633Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}