{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,13]],"date-time":"2026-05-13T18:33:54Z","timestamp":1778697234530,"version":"3.51.4"},"reference-count":157,"publisher":"Wiley","license":[{"start":{"date-parts":[[2025,6,14]],"date-time":"2025-06-14T00:00:00Z","timestamp":1749859200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Chemistry &amp; Biodiversity"],"abstract":"<jats:title>ABSTRACT<\/jats:title><jats:p>Plant extracts are emerging as valuable options for food additives and therapeutic treatments. This study evaluated the phytochemical profile, antioxidant activity, and cytotoxicity of aerial parts of <jats:italic>Marrubium vulgare<\/jats:italic> L. crude extract (MVCE) and its subfractions. The MVCE (80% ethanol) contained steroids, phenolic compounds, flavonoids, terpenes, and cardiac glycosides, with total phenolic content (TPC) and total flavonoid content (TFC) of 14.96\u00a0\u00b1\u00a00.12\u00a0mg GAE\/g DW and 12.27\u00a0\u00b1\u00a00.63\u00a0mg RE\/g DW, respectively. All MV extracts exhibited potent antioxidant activity against DPPH<jats:sup>\u2022<\/jats:sup> (0.106\u20131.864\u00a0mg\/mL) and ABTS<jats:sup>+\u2022<\/jats:sup> (0.298\u201317.084\u00a0mg\/mL). The MV residual aqueous fraction (MVRF) showed significant cytotoxicity against human cancer cell lines, including MCF7 (IC<jats:sub>50<\/jats:sub>\u00a0=\u00a05.47\u00a0\u00b1\u00a01.32\u00a0\u00b5g\/mL), HT29 (IC<jats:sub>50<\/jats:sub>\u00a0=\u00a017.48\u00a0\u00b1\u00a01.47\u00a0\u00b5g\/mL), and SW480 (IC<jats:sub>50<\/jats:sub>\u00a0=\u00a07.51\u00a0\u00b1\u00a00.36\u00a0\u00b5g\/mL). Ultra\u2010performance liquid chromatography\u2010mass spectrometry identified 26 bioactive compounds, with malic acid, caffeic acid, chlorogenic acid, kaempferol\u20103\u2010glucuronide, and <jats:sc>l<\/jats:sc>\u2010tryptophan as the major ones. Molecular docking revealed strong binding affinities of the above compounds to breast (PDB ID: 6CHZ) and colorectal cancer (PDB ID: 1HVY) proteins. Pharmacokinetic and toxicological studies confirmed their safety and efficacy, supporting MVRF as a potential therapeutic agent. These findings highlight MV as a promising candidate for future anticancer research.<\/jats:p>","DOI":"10.1002\/cbdv.202500400","type":"journal-article","created":{"date-parts":[[2025,6,14]],"date-time":"2025-06-14T18:39:04Z","timestamp":1749926344000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["UPLC\u2010ESI\u2010QTOF\u2010MS\/MS Profiling, Antioxidant, and Cytotoxicity Potentials of <i>Marrubium vulgare<\/i> L. 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Industrial Chemistry, College of Applied and Industrial Sciences University of Bahri  Sudan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Suada Alsaied","family":"Mohamed","sequence":"additional","affiliation":[{"name":"Chemistry Department, Faculty of Science Al\u2010Baha University  Al\u2010Baha Kingdom of Saudi Arabia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Hedia","family":"Chaabane","sequence":"additional","affiliation":[{"name":"Laboratory of Natural Substances National Institute of Research and Physico\u2010Chemical Analysis  Ariana Tunisia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ashraf N.","family":"Abdalla","sequence":"additional","affiliation":[{"name":"Department of Pharmacology and Toxicology, College of Pharmacy Umm Al\u2010Qura University  Makkah Kingdom of Saudi Arabia"},{"name":"Department of Pharmacology and Toxicology Medicinal and Aromatic Plants Research Institute, National Center for Research  Khartoum Sudan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Majdi","family":"Abid","sequence":"additional","affiliation":[{"name":"Department of Chemistry, College of Science Jouf University  Sakaka Kingdom of Saudi Arabia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Adel","family":"Kadri","sequence":"additional","affiliation":[{"name":"Chemistry Department, Faculty of Science Al\u2010Baha University  Al\u2010Baha Kingdom of Saudi Arabia"},{"name":"Faculty of Science of Sfax, Department of Chemistry University of Sfax  Sfax Tunisia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4076-2443","authenticated-orcid":false,"given":"Mozaniel Santana","family":"de Oliveira","sequence":"additional","affiliation":[{"name":"Postgraduate Program in Pharmaceutical Sciences (PPGCF) Institute of Health Sciences, Federal University of Par\u00e1  Bel\u00e9m 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