{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,21]],"date-time":"2026-10-21T07:41:30Z","timestamp":1792568490852,"version":"4.5.0"},"reference-count":26,"publisher":"Wiley","license":[{"start":{"date-parts":[[2026,10,21]],"date-time":"2026-10-21T00:00:00Z","timestamp":1792540800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"},{"start":{"date-parts":[[2026,10,21]],"date-time":"2026-10-21T00:00:00Z","timestamp":1792540800000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["analyticalsciencejournals.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Magnetic Reson in Chemistry"],"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    Antimicrobial resistance (AMR) remains one of the greatest global public health challenges of the 21st century, compromising the effectiveness of current therapies and highlighting the urgent need for new antibacterial agents. Natural products from bacteria and filamentous fungi continue to represent an invaluable source of structurally diverse bioactive metabolites. In this study, a library of 56 extracts obtained from mangrove\u2010associated ascomycetes was screened against a panel of multidrug\u2010resistant bacterial pathogens. Bioactivity data were integrated with LC\u2013MS\/MS\u2010based molecular networking to prioritize extracts for chemical investigation. This approach identified\n                    <jats:italic>Fusarium<\/jats:italic>\n                    sp. IQ\u20101921 as one of the most promising candidates, leading to the isolation of a new dihydroisocoumarin (\n                    <jats:bold>1<\/jats:bold>\n                    ) and four known analogues (\n                    <jats:bold>2<\/jats:bold>\n                    \u2013\n                    <jats:bold>5<\/jats:bold>\n                    ). The structures of all isolated metabolites were elucidated by 1D and 2D NMR spectroscopy and high\u2010resolution mass spectrometry (HRMS). All compounds were evaluated against multidrug\u2010resistant strains of\n                    <jats:styled-content style=\"fixed-case\">\n                      <jats:italic>Acinetobacter baumannii<\/jats:italic>\n                    <\/jats:styled-content>\n                    ,\n                    <jats:styled-content style=\"fixed-case\">\n                      <jats:italic>Pseudomonas aeruginosa<\/jats:italic>\n                    <\/jats:styled-content>\n                    ,\n                    <jats:styled-content style=\"fixed-case\">\n                      <jats:italic>Klebsiella pneumoniae<\/jats:italic>\n                    <\/jats:styled-content>\n                    , and\n                    <jats:styled-content style=\"fixed-case\">\n                      <jats:italic>Staphylococcus aureus<\/jats:italic>\n                    <\/jats:styled-content>\n                    . Compounds\n                    <jats:bold>1<\/jats:bold>\n                    and\n                    <jats:bold>3<\/jats:bold>\n                    \u2013\n                    <jats:bold>5<\/jats:bold>\n                    exhibited moderate antibacterial activity, with compound\n                    <jats:bold>1<\/jats:bold>\n                    displaying the broadest inhibitory profile. These findings demonstrate the effectiveness of integrating metabolomics with bioactivity\u2010guided prioritization for the discovery of antibacterial natural products and further highlight the indispensable role of NMR spectroscopy in the structural elucidation of closely related fungal metabolites.\n                  <\/jats:p>","DOI":"10.1002\/mrc.70146","type":"journal-article","created":{"date-parts":[[2026,10,21]],"date-time":"2026-10-21T07:08:11Z","timestamp":1792566491000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["NMR\u2010Based Structural Elucidation of a New Dihydroisocoumarin and Related Polyketides From a Mangrove\u2010Derived\n                    <scp>\n                      <i>Fusarium<\/i>\n                    <\/scp>\n                    sp."],"prefix":"10.1002","author":[{"given":"Evelyn","family":"Garc\u00eda\u2010Oceguera","sequence":"first","affiliation":[{"name":"Department of Natural Products, Instituto de Qu\u00edmica Universidad Nacional Aut\u00f3noma de M\u00e9xico  Mexico City Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Carlos A.","family":"Fajardo\u2010Hern\u00e1ndez","sequence":"additional","affiliation":[{"name":"Department of Natural Products, Instituto de Qu\u00edmica Universidad Nacional Aut\u00f3noma de M\u00e9xico  Mexico City Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ixchel A.","family":"Loa\u2010Ram\u00edrez","sequence":"additional","affiliation":[{"name":"Department of Natural Products, Instituto de Qu\u00edmica Universidad Nacional Aut\u00f3noma de M\u00e9xico  Mexico City Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9010-6268","authenticated-orcid":false,"given":"Jes\u00fas I.","family":"Morales\u2010Jim\u00e9nez","sequence":"additional","affiliation":[{"name":"Department of Health Sciences, Experimental Hematology Laboratory Universidad Aut\u00f3noma Metropolitana, Iztapalapa  Mexico City Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9225-6200","authenticated-orcid":false,"given":"Jos\u00e9","family":"Rivera\u2010Ch\u00e1vez","sequence":"additional","affiliation":[{"name":"Department of Natural Products, Instituto de Qu\u00edmica Universidad Nacional Aut\u00f3noma de M\u00e9xico  Mexico City Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,10,21]]},"reference":[{"issue":"1","key":"e_1_2_10_2_1","doi-asserted-by":"crossref","DOI":"10.1016\/j.lanmic.2024.07.010","article-title":"Antimicrobial Resistance: A Concise Update","volume":"6","author":"Ho C. S.","year":"2025","journal-title":"Lancet Microbe"},{"issue":"10325","key":"e_1_2_10_3_1","doi-asserted-by":"crossref","first-page":"629","DOI":"10.1016\/S0140-6736(21)02724-0","article-title":"Global Burden of Bacterial Antimicrobial Resistance in 2019: A Systematic Analysis","volume":"399","author":"Murray C. J. L.","year":"2022","journal-title":"Lancet"},{"key":"e_1_2_10_4_1","doi-asserted-by":"publisher","DOI":"10.3390\/life16081272"},{"issue":"11","key":"e_1_2_10_5_1","doi-asserted-by":"crossref","first-page":"2423","DOI":"10.1021\/acs.jnatprod.3c00490","article-title":"Integrating Taxonomic and Chemical Diversity of Mangrove\u2010Associated Ascomycetes to Discover or Repurpose Bioactive Natural Products","volume":"86","author":"Martinez\u2010Aldino I. Y.","year":"2023","journal-title":"Journal of Natural Products"},{"key":"e_1_2_10_6_1","doi-asserted-by":"crossref","DOI":"10.3389\/fimmu.2025.1491777","article-title":"Medicinal Plants: Bioactive Compounds, Biological Activities, Combating Multidrug\u2010Resistant Microorganisms, and Human Health Benefits\u2014A Comprehensive Review","volume":"16","author":"El\u2010Saadony M. T.","year":"2025","journal-title":"Frontiers in Immunology"},{"issue":"3","key":"e_1_2_10_7_1","doi-asserted-by":"crossref","first-page":"379","DOI":"10.3856\/vol51-issue3-fulltext-2971","article-title":"Diversity and Bioactivity of Sediment\u2010Associated Fungi From a Mangrove Forest in Mexico With Different Conservation Conditions","volume":"51","author":"Lagunes I.","year":"2023","journal-title":"Latin American Journal of Aquatic Research"},{"issue":"8","key":"e_1_2_10_8_1","article-title":"Antimicrobial Potential of Soil\/Sediment Mangrove Associated Fungi: A Review","volume":"35","author":"Braga A. F. V.","year":"2024","journal-title":"Journal of the Brazilian Chemical Society"},{"key":"e_1_2_10_9_1","doi-asserted-by":"crossref","first-page":"39","DOI":"10.1007\/978-981-96-2602-1_3","volume-title":"Mangrove Microbiome: Diversity and Bioprospecting","author":"Pattapulavar V.","year":"2025"},{"issue":"12","key":"e_1_2_10_10_1","doi-asserted-by":"crossref","first-page":"1568","DOI":"10.1039\/D0NP00038H","article-title":"Fusarium: A Treasure Trove of Bioactive Secondary Metabolites","volume":"37","author":"Li M.","year":"2020","journal-title":"Natural Product Reports"},{"issue":"2","key":"e_1_2_10_11_1","doi-asserted-by":"crossref","first-page":"1339","DOI":"10.1039\/D2RA04126J","article-title":"The Endophytic Fusarium Strains: A Treasure Trove of Natural Products","volume":"13","author":"Ahmed A. M.","year":"2023","journal-title":"RSC Advances"},{"issue":"11","key":"e_1_2_10_12_1","doi-asserted-by":"crossref","DOI":"10.3390\/jof10110778","article-title":"Recent Updates on the Secondary Metabolites From Fusarium Fungi and Their Biological Activities (Covering 2019 to 2024)","volume":"10","author":"Amuzu P.","year":"2024","journal-title":"Journal of Fungi"},{"issue":"3","key":"e_1_2_10_13_1","doi-asserted-by":"crossref","first-page":"564","DOI":"10.1007\/s43450-023-00507-2","article-title":"Antibacterial Activity and AbFtsZ Binding Properties of Fungal Metabolites Isolated From Mexican Mangroves","volume":"34","author":"Carrillo\u2010Jaimes K.","year":"2024","journal-title":"Revista Brasileira de Farmacognosia"},{"issue":"12","key":"e_1_2_10_14_1","doi-asserted-by":"crossref","DOI":"10.1002\/cbdv.202501912","article-title":"Oxygenated Solanapyrone Analogs From Nigrospora sp. IQ\u2010064, a Mangrove Associated Fungus","volume":"22","author":"Fajardo\u2010Hern\u00e1ndez C. A.","year":"2025","journal-title":"Chemistry & Biodiversity"},{"issue":"04","key":"e_1_2_10_15_1","doi-asserted-by":"crossref","first-page":"197","DOI":"10.1055\/a-2515-9491","article-title":"Roseoglobuloside A, a Novel Nonanolide, and Identification of Specialized Metabolites as hPTP1B1\u2013400 Inhibitors From Mangrove\u2010Dwelling Aspergillus spp","volume":"91","author":"Fajardo\u2010Hern\u00e1ndez C. A.","year":"2025","journal-title":"Planta Medica"},{"issue":"5","key":"e_1_2_10_16_1","doi-asserted-by":"crossref","first-page":"709","DOI":"10.1021\/np0205598","article-title":"Antimalarial Dihydroisocoumarins Produced by Geotrichum sp., an Endophytic Fungus of Crassocephalum crepidioides","volume":"66","author":"Kongsaeree P.","year":"2003","journal-title":"Journal of Natural Products"},{"issue":"11","key":"e_1_2_10_17_1","doi-asserted-by":"crossref","first-page":"1258","DOI":"10.1055\/s-0029-1185545","article-title":"Antimicrobial Dihydroisocoumarins From Crassocephalum biafrae","volume":"75","author":"Tabopda T. K.","year":"2009","journal-title":"Planta Medica"},{"issue":"3","key":"e_1_2_10_18_1","doi-asserted-by":"crossref","first-page":"695","DOI":"10.1007\/s11157-025-09733-7","article-title":"A Review of Antifungal Activity of Bacterial Strains and Their Secondary Metabolites Against Fusarium Species","volume":"24","author":"Almeida L. S.","year":"2025","journal-title":"Reviews in Environmental Science and Bio\/Technology"},{"issue":"5","key":"e_1_2_10_19_1","doi-asserted-by":"crossref","first-page":"1351","DOI":"10.1002\/pca.3513","article-title":"Harnessing Molecular and Bioactivity Network Analysis to Prioritize Antibacterial Compound Isolation From Ant\u2010Associated Fungi","volume":"36","author":"Aguilar\u2010Colorado \u00c1. S.","year":"2025","journal-title":"Phytochemical Analysis"},{"issue":"11","key":"e_1_2_10_20_1","doi-asserted-by":"crossref","DOI":"10.1063\/5.0197592","article-title":"CREST\u2014A Program for the Exploration of Low\u2010Energy Molecular Chemical Space","volume":"160","author":"Pracht P.","year":"2024","journal-title":"Journal of Chemical Physics"},{"issue":"14","key":"e_1_2_10_21_1","doi-asserted-by":"crossref","first-page":"7169","DOI":"10.1039\/C9CP06869D","article-title":"Automated Exploration of the Low\u2010Energy Chemical Space With Fast Quantum Chemical Methods","volume":"22","author":"Pracht P.","year":"2020","journal-title":"Physical Chemistry Chemical Physics"},{"key":"e_1_2_10_22_1","volume-title":"WHO Bacterial Priority Pathogens List, 2024: Bacterial Pathogens of Public Health Importance to Guide Research, Development and Strategies to Prevent and Control Antimicrobial Resistance","author":"World Health Organization","year":"2024"},{"issue":"8","key":"e_1_2_10_23_1","doi-asserted-by":"crossref","first-page":"828","DOI":"10.1038\/nbt.3597","article-title":"Sharing and Community Curation of Mass Spectrometry Data With Global Natural Products Social Molecular Networking","volume":"34","author":"Wang M.","year":"2016","journal-title":"Nature Biotechnology"},{"issue":"4","key":"e_1_2_10_24_1","doi-asserted-by":"crossref","first-page":"758","DOI":"10.1021\/acs.jnatprod.7b00737","article-title":"Bioactivity\u2010Based Molecular Networking for the Discovery of Drug Leads in Natural Product Bioassay\u2010Guided Fractionation","volume":"81","author":"Nothias L. F.","year":"2018","journal-title":"Journal of Natural Products"},{"issue":"6","key":"e_1_2_10_25_1","doi-asserted-by":"crossref","DOI":"10.2174\/0115701638374546250323152450","article-title":"Biological Activity and Therapeutic Potential of Coumarin Derivatives: A Comprehensive Review","volume":"22","author":"Singh S.","year":"2025","journal-title":"Current Drug Discovery Technologies"},{"issue":"12","key":"e_1_2_10_26_1","doi-asserted-by":"crossref","first-page":"1585","DOI":"10.1021\/np0103665","article-title":"Three New Dihydroisocoumarins From the Greek Endemic Species Scorzonera cretica","volume":"64","author":"Paraschos S.","year":"2001","journal-title":"Journal of Natural Products"},{"issue":"9","key":"e_1_2_10_27_1","doi-asserted-by":"crossref","first-page":"1755","DOI":"10.1021\/acs.jcim.8b00324","article-title":"Algorithmic Analysis of Cahn\u2013Ingold\u2013Prelog Rules of Stereochemistry: Proposals for Revised Rules and a Guide for Machine Implementation","volume":"58","author":"Hanson R. M.","year":"2018","journal-title":"Journal of Chemical Information and Modeling"}],"container-title":["Magnetic Resonance in Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/analyticalsciencejournals.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/mrc.70146","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/analyticalsciencejournals.onlinelibrary.wiley.com\/doi\/full-xml\/10.1002\/mrc.70146","content-type":"application\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/analyticalsciencejournals.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/mrc.70146","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,10,21]],"date-time":"2026-10-21T07:08:15Z","timestamp":1792566495000},"score":1,"resource":{"primary":{"URL":"https:\/\/analyticalsciencejournals.onlinelibrary.wiley.com\/doi\/10.1002\/mrc.70146"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,10,21]]},"references-count":26,"alternative-id":["10.1002\/mrc.70146"],"URL":"https:\/\/doi.org\/10.1002\/mrc.70146","archive":["Portico"],"relation":{},"ISSN":["0749-1581","1097-458X"],"issn-type":[{"value":"0749-1581","type":"print"},{"value":"1097-458X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,10,21]]},"assertion":[{"value":"2026-08-10","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2026-10-07","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2026-10-21","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}],"article-number":"mrc.70146"}}