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In South Africa, increasing antimicrobial resistance to tetracycline, ciprofloxacin, and penicillin is limiting available treatment options for\n                    <jats:italic>N. gonorrhoeae<\/jats:italic>\n                    infections. This challenge necessitates the exploration of alternative therapeutics, with natural products representing a promising source of novel scaffolds. This study employed a metabolomics-guided approach to tentatively identify antigonorrhoeal compounds from South African medicinal plants. Sixteen crude extracts prepared by ultrasonic extraction, and 112 solid-phase extraction (SPE) fractions, were screened against\n                    <jats:italic>N. gonorrhoeae<\/jats:italic>\n                    ATCC 49981 using broth microdilution. Leaves from\n                    <jats:italic>Helichrysum odoratissimum<\/jats:italic>\n                    (L.) Sweet and leaves and twigs from\n                    <jats:italic>Terminalia phanerophlebia<\/jats:italic>\n                    Engl. &amp; Diels yielded the most active samples, with minimum inhibitory concentrations (MICs) as low as 6.25\u00a0\u00b5g\/mL. SPE fractions from both plants were analysed by Ultra-Performance Liquid Chromatography-High-Resolution Mass Spectrometry (UPLC-HRMS). Data were processed using the Waters UNIFI\n                    <jats:sup>\u00ae<\/jats:sup>\n                    platform and analysed by Principal Component Analysis (PCA) and Orthogonal Partial Least Squares Discriminant Analysis (OPLS-DA) in MetaboAnalyst 6.0. Putative compounds were annotated using\n                    <jats:italic>in silico<\/jats:italic>\n                    tool, including SIRIUS, complemented by MassLynx, and a literature search, enabling tentative annotation of 23 compounds. Of these, 12 were prioritised by the\n                    <jats:italic>Neisseria<\/jats:italic>\n                    Bayesian model (score\u2009\u2265\u20090.5), including kaempferol and carvacrol in\n                    <jats:italic>H. odoratissimum<\/jats:italic>\n                    , and vitexin and isoscopoletin in\n                    <jats:italic>T. phanerophlebia<\/jats:italic>\n                    . Tanimoto similarity analysis revealed low structural similarity to ciprofloxacin (&lt;\u20090.30), indicating novelty relative to fluoroquinolone scaffolds. These findings provide candidate compounds for further validation and demonstrate that integrating metabolomics with computational prediction can accelerate antigonorrhoeal discovery.\n                  <\/jats:p>\n                  <jats:p>\n                    <jats:bold>Graphical Abstract<\/jats:bold>\n                  <\/jats:p>","DOI":"10.1007\/s12223-026-01500-7","type":"journal-article","created":{"date-parts":[[2026,5,20]],"date-time":"2026-05-20T08:06:26Z","timestamp":1779264386000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Identification of antigonorrhoeal phytochemical lead compounds using a metabolomics-guided approach"],"prefix":"10.1007","author":[{"ORCID":"https:\/\/orcid.org\/0009-0007-4234-9365","authenticated-orcid":false,"given":"Perfoy Lumu","family":"Lumu","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7692-3256","authenticated-orcid":false,"given":"Phanankosi","family":"Moyo","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8947-1997","authenticated-orcid":false,"given":"Alphonse","family":"Onana","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5452-9434","authenticated-orcid":false,"given":"Patrick Matthew","family":"McMillan","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3869-7467","authenticated-orcid":false,"given":"Madelien","family":"Wooding","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0729-5393","authenticated-orcid":false,"given":"Samkelo","family":"Malgas","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6512-304X","authenticated-orcid":false,"given":"Vinesh Jaichand","family":"Maharaj","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3351-0424","authenticated-orcid":false,"given":"Sekelwa","family":"Cosa","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","published-online":{"date-parts":[[2026,5,20]]},"reference":[{"key":"1500_CR1","doi-asserted-by":"publisher","DOI":"10.3390\/plants12173077","volume":"12","author":"E Abdallah","year":"2023","unstructured":"Abdallah E, Alhatlani B, de Paula Menezes R, Martins C (2023) Back to nature: medicinal plants as promising sources for antibacterial drugs in the post-antibiotic era. 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