From aquatic plant to therapeutic prospect: LC–MS/MS-guided phytochemical profiling and in vitro antidiabetic, anticholinesterase and molecular insights into Myriophyllum spicatum L.

Myriophyllum spicatum L. methanolic extract was examined through integrated biochemical, phytochemical, computational analyses. The extract exhibited strong α-glucosidase inhibitory activity with an IC50 value of 198.54 µg/mL, demonstrating markedly higher potency than reference inhibitor acarbose (IC50= 4738.12 µg/mL), while no inhibitory activity was detected against α-amylase under tested conditions. In anticholinesterase assays, extract showed acetylcholinesterase inhibition with an IC50 value of 9.70 µg/mL, whereas standard inhibitor donepezil exhibited a significantly stronger activity (IC50= 0.30 µg/mL). No inhibitory effect was observed against butyrylcholinesterase for the extract, while donepezil displayed potent inhibition (IC50= 15.40 µg/mL). Extract showed strong ABTS•+ scavenging activity (85.7% at 40 µg/mL) but weak DPPH• activity (25.6% at 25 µg/mL), suggesting higher affinity for hydrophilic radicals. High total phenolic, flavonoid and tannin contents correlated with antioxidant potential. LC–MS/MS revealed thirteen phenolics, mainly vanillic acid, gallic acid and cyanidin-3-O-glucoside. Docking studies supported selective α-glucosidase binding of vanillic acid.