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

Résumé

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.

Citer ce document

Accès au document

Texte intégral en lecture en ligne, réservé aux abonnés SPHAERO et aux membres de l'institution. Se connecter

Auteur(s)

Statistiques

Consultations : 1

Téléchargements : 0