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February 2, 2026Chemistry & Biodiversity0 citationsOpen Access

Metabolite Profiling and Anticancer Evaluation of Iraqi Haloxylon articulatum Halophyte via LC–HRMS/MS, Molecular Docking, and ADMET Analysis

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JAJihen AbidiAHAmal Ben HassenaRHRania Ben Hmida

Key Points

  • The study aims to investigate the phytochemical profile and anticancer potential of Haloxylon articulatum extracts.
  • Conducted metabolite profiling using LC–HRMS/MS.
  • Performed antioxidant activity analysis with DPPH assay.
  • Assessed cytotoxicity against gastric cancer cell lines with IC50 calculations.
  • Utilized molecular docking to examine interactions with key cancer proteins.
  • Conducted ADMET analysis to evaluate pharmacological profiles.
  • Detected various bioactive compounds including alkaloids and flavonoids.
  • Achieved significant antioxidant activity as indicated by DPPH results.
  • Identified anticancer activity with IC50 values between 49.33 and 82 µmol/L for major phytochemicals.
  • Demonstrated strong interaction between phytochemicals and EGFR kinase in molecular docking.
  • Confirmed favorable ADMET profiles for potential natural anticancer drugs.

Abstract

ABSTRACT Traditional medicinal plants are valuable sources of bioactive compounds used for therapeutic purposes. Haloxylon articulatum , a halophyte adapted to arid climate, has been consumed to treat several health issues. This study explores the phytochemical richness, the antioxidant, and the anticancer activities of a hydroalcoholic extract of H. articulatum through liquid chromatography–high‐resolution mass spectrometry/mass spectrometry (LC–HRMS/MS), 2,2‐diphenyl‐1‐picrylhydrazyl (DPPH) analysis, cytotoxicity testing, and computational analysis. Alkaloids, flavonoids, and phenolic acids were among numerous bioactive chemicals found within the extracts. The DPPH assay revealed a notable antioxidant activity. Using the cytotoxicity test, the major phytochemicals, N ‐caffeoyltyramine and sinapoyltyramine, exhibited anticancer activity against gastric cancer cell lines AGS and NCI‐N87, with IC 50 values ranging from 49.33 to 82 µmol/L. These activities were significantly enhanced in combination treatments with the standard reference, cisplatin. Molecular docking analysis demonstrated the presence of significant interactions between these compounds and the key cancer‐related protein; the epidermal growth factor receptor (EGFR) kinase, indicating their ability to inhibit tumor cells proliferation. Absorption, distribution, metabolism, excretion, and toxicity (ADMET) analysis further showed promising pharmacological profiles, confirming the potential of N ‐caffeoyltyramine and sinapoyltyramine as effective natural anticancer drugs. This research provided novel insights, supported for the first time by in silico investigations, into the medicinal potential of the plant, highlighting its prospects for the development of natural anticancer drugs.

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Cite This Study

Abidi et al. (2026) studied this question.

synapsesocial.com/papers/6980ffc6c1c9540dea81282ehttps://doi.org/10.1002/cbdv.202502619
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