Metabolite Profiling and Anticancer Evaluation of Iraqi Haloxylon articulatum Halophyte via LC-HRMS/MS, Molecular...

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 IC₅₀ 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.