Centaurea pungens Pomel as a potential nutraceutical source: Polyphenol-rich profile, antioxidant capacity, and inhibition of digestive α-amylase

Introduction – Antioxidant-rich plant-derived compounds are increasingly investigated for their role in preventing oxidative stress and managing metabolic disorders. Centaurea pungens Pomel, an underexplored Saharan species, represents a potential source of dietary bioactive compounds with functional properties. Methods – This study aimed to evaluate the phytochemical composition and nutraceutical potential of C. pungens through integrated chemical, biological, and in silico approaches. Results – The ethanolic extract was characterized using UPLC-ESI-MS/MS, revealing a diverse phytochemical profile comprising flavonoids and phenolic acids, with major constituents including curcumin, beta-carotene, and myricetin derivatives. The extract exhibited notable antioxidant activity, with 2, 2-Diphenyl-1-picrylhydrazyl (DPPH) radical scavenging (IC50 = 0.0706 ± 0.006 mg/mL) and hydrogen peroxide scavenging (IC50 = 0.1789 ± 0.083 mg/mL), alongside moderate metal-chelating capacity. The extract exhibited significant in vitro alpha-amylase inhibitory activity. Molecular docking and 300 ns molecular dynamics simulations further suggested that myricetin 3-arabinoside may contribute to the observed inhibitory effect through stable interactions with the catalytic pocket of human pancreatic alpha-amylase. In addition, the extract showed antimicrobial activity, indicating its potential for applications related to food safety and preservation. Discussion – However, the predominant nutritional relevance lies in its high polyphenol content and associated antioxidant and enzyme-inhibitory properties. Overall, these findings suggested that C. pungens represents a promising source of bioactive phytochemicals deserving further nutritional investigation. Further quantitative phytochemical analysis, together with bioavailability, safety, and in vivo efficacy studies, is warranted before practical dietary applications can be recommended.