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<p>Inflammation plays a crucial role in many chronic diseases with IL-6 and COX-2 being key mediators. The current article explored the anti-inflammatory potential of <i>Convolvulus oxyphyllus</i> extracts, combining phytochemical profiling, molecular docking, and gene expression analysis to elucidate their mechanisms of action. Total alcohol extract and extract-mediated Se-NPs of <i>C. oxyphyllus</i> were evaluated for their ability to modulate IL6 and COX2 expression using quantitative real-time PCR (qRT-PCR). LC–MS investigation was implemented to identify major phytoconstituents, followed by molecular docking to assess the binding interactions of selected most abundant flavonoid compounds (quercetin, daidzein-8-C-glucoside, kaempferol-7-neohesperidoside, and eriodictyol-7-O-neohesperidoside) with COX-2 (PDB ID: 8ET0) and IL-6 (PDB ID: 4N19). Both extract-mediated Se-NPs and total alcohol extract significantly down-regulated IL6 and COX2 expression (69% and 73%, respectively), comparable to Celecoxib. LC–MS profiling revealed the presence of flavonoids as dominant metabolites, alkaloids, coumarins and other constituents. Molecular docking demonstrated strong ligand–target interactions, with eriodictyol-7-O-neohesperidoside showing the highest binding affinity for COX-2 (− 10.2&#xa0;kcal/mol) and kaempferol-7-neohesperidoside for IL-6 (− 7.4&#xa0;kcal/mol), surpassing or matching the standard drug Celecoxib. These outcomes emphasize the therapeutic potential of <i>C. oxyphyllus</i> and its constituent phytochemicals as natural anti-inflammatory agents warranting further in vivo validation.</p>

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Biogenic selenium extract-mediated and total Convolvulus oxyphyllus extracts suppress IL6 and COX2 expression: insights from LC–MS metabolite profiling and molecular docking

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年5月13日

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  • Mohamed D. Abd El-Halim,
  • Nawal H. Mohamed,
  • Reham M. El-Meligy,
  • Rehab A. Lotfy

摘要

Inflammation plays a crucial role in many chronic diseases with IL-6 and COX-2 being key mediators. The current article explored the anti-inflammatory potential of Convolvulus oxyphyllus extracts, combining phytochemical profiling, molecular docking, and gene expression analysis to elucidate their mechanisms of action. Total alcohol extract and extract-mediated Se-NPs of C. oxyphyllus were evaluated for their ability to modulate IL6 and COX2 expression using quantitative real-time PCR (qRT-PCR). LC–MS investigation was implemented to identify major phytoconstituents, followed by molecular docking to assess the binding interactions of selected most abundant flavonoid compounds (quercetin, daidzein-8-C-glucoside, kaempferol-7-neohesperidoside, and eriodictyol-7-O-neohesperidoside) with COX-2 (PDB ID: 8ET0) and IL-6 (PDB ID: 4N19). Both extract-mediated Se-NPs and total alcohol extract significantly down-regulated IL6 and COX2 expression (69% and 73%, respectively), comparable to Celecoxib. LC–MS profiling revealed the presence of flavonoids as dominant metabolites, alkaloids, coumarins and other constituents. Molecular docking demonstrated strong ligand–target interactions, with eriodictyol-7-O-neohesperidoside showing the highest binding affinity for COX-2 (− 10.2 kcal/mol) and kaempferol-7-neohesperidoside for IL-6 (− 7.4 kcal/mol), surpassing or matching the standard drug Celecoxib. These outcomes emphasize the therapeutic potential of C. oxyphyllus and its constituent phytochemicals as natural anti-inflammatory agents warranting further in vivo validation.