{
  "abstract": "The study explored the metabolite profile and anticancer potential of Paspalum dilatatum (Dallis grass) using an integrated phytochemical, computational, and in vitro approach. UHPLC/QTOF-MS/MS analysis of a 70% methanolic extract tentatively identified 30 metabolites, mainly flavonoids. In vitro MTT assays showed dose-dependent cytotoxicity against breast cancer MCF7 cells (IC₅₀ = 73.70 µg mL⁻¹) and liver cancer HEPG2 cells (IC₅₀ = 128.02 µg mL⁻¹), with high selectivity over normal Vero cells (p < 0.0001). Mechanistic studies in MCF7 cells demonstrated apoptosis induction, as supported by increased caspase-3 expression (P = 0.0002). Upregulation of the pro-apoptotic protein BAX (P = 0.0013) and downregulation of the anti-apoptotic protein BCL-2 (P = 0.0284) were also demonstrated, with a significant rise in the BAX/BCL-2 ratio (P = 0.0060). Computational docking against EGFR (PDB ID: 8A27) predicted strong binding of acaciin (-9.763 kcal mol⁻¹) and sissotrin (-9.587 kcal mol⁻¹), while molecular dynamics supported the stability of the EGFR-Acaciin complex (RMSD 2.5-3 Å). Overall, the integrated findings position P. dilatatum flavonoids, and acaciin in particular, as computationally prioritized candidates for EGFR-targeted, pro-apoptotic anticancer activity that merit further experimental validation.",
  "abstract_shown": true,
  "affiliations": [
    "Department of Pharmacognosy and Medicinal Plants, Faculty of Pharmacy, Al-Azhar University (Boys) Cairo 11884 Egypt mostafahegazy@azhar.edu.eg hsam8406@azhar.edu.eg m_abouelela@azhar.edu.eg atefelhela2004@yahoo.com.",
    "Department of Pharmacognosy, Faculty of Pharmacy, Sinai University-Arish Branch Arish 45511 Egypt.",
    "Department of Pharmacognosy, Faculty of Pharmacy, Sinai University-Kantara Branch Ismailia 41636 Egypt.",
    "Department of Pharmacognosy and Medicinal Plants, Faculty of Pharmacy, Al-Azhar University (Girls) Cairo 11884 Egypt asmaaelsaid.el20@azhar.ed.eg.",
    "Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Sinai University-Kantara Branch Ismailia 41636 Egypt moaz.hassanein@su.edu.eg.",
    "Department of Biochemistry, Faculty of Pharmacy and Drug Technology, Egyptian Chinese University Cairo Egypt nourhan.abdelmaksoud@ecu.edu.eg.",
    "Pharmaceutical Analytical Chemistry Department, Faculty of Pharmacy, Port-Said University Port-Said 42511 Egypt.",
    "Natural and Medical Sciences Research Center, University of Nizwa Nizwa 616 Oman adel@unizwa.edu.om aharrasi@unizwa.edu.om."
  ],
  "article_type": "research article",
  "arxiv": null,
  "author_total": 9,
  "authors": [
    {
      "affs": [
        0,
        1
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      "name": "Mostafa M Hegazy"
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    {
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        0,
        2
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      "name": "Hatem S Abbass"
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    {
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        0
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      "name": "Mohamed E Abouelela",
      "orcid": "0000-0002-9489-234X"
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    {
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        3
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      "name": "Asmaa A Mahmoud"
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    {
      "affs": [
        4
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      "name": "Moaz H T Hassanein",
      "orcid": "0009-0001-1389-9305"
    },
    {
      "affs": [
        5
      ],
      "name": "Nourhan M Abdelmaksoud"
    },
    {
      "affs": [
        6,
        7
      ],
      "name": "Adel Ehab Ibrahim",
      "orcid": "0000-0001-7421-1220"
    },
    {
      "affs": [
        7
      ],
      "name": "Ahmed Al-Harrasi",
      "orcid": "0000-0002-0815-5942"
    },
    {
      "affs": [
        0
      ],
      "name": "Atef A El-Hela"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/9dthavec65k0h.bib",
  "cited_by": 0,
  "doi": "10.1039/d6ra07890g",
  "fulltext_url": "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13717507/?tool=EBI",
  "id": "9dthavec65k0h",
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  "language": "eng",
  "licence": "CC-BY-NC",
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  "native_subjects": [
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  "openalex": "W7224598943",
  "pdf_url": "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13717507/pdf/?tool=EBI",
  "pmcid": "PMC13717507",
  "pmid": "42959503",
  "published": "2026-10-29",
  "publisher": "Royal Society of Chemistry",
  "ris": "https://research.draconitic.com/paper/9dthavec65k0h.ris",
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  "subjects": [
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      "origin": "openalex:1110|Medicinal Plant Research",
      "subfield": "plant-biology"
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  ],
  "title": "Mechanistic insights into the metabolomic profiling and anticancer potential of Paspalum dilatatum in breast cancer: integrated phytochemical, in vitro, and in silico studies",
  "title_text": "Mechanistic insights into the metabolomic profiling and anticancer potential of Paspalum dilatatum in breast cancer: integrated phytochemical, in vitro, and in silico studies",
  "type": "peer-reviewed",
  "updated_at": "2026-11-02T12:21:49Z",
  "url": "https://research.draconitic.com/paper/9dthavec65k0h",
  "venue": "RSC advances",
  "versions": []
}