Comprehensive metabolic profiling of Acantholimon caryophyllaceum using LC–HRMS and evaluation of antioxidant activities, enzyme inhibition properties and molecular docking studies

The Acantholimon taxon consists of thorny, perennial and subshrub flowering plants. Extraction of various Acantholimon species are traditionally applied to treat liver disease and diabetes and roots are boiled used to treat wounds and skin irritation. Here, we quantified, the radical scavenging activities of ethanol (EEAC) and water (WEAC) extracts of Acantholimon caryophyllaceum Boiss (A. caryophyllaceum) against 1,1-diphenyl-2-picryl-hydrazyl (DPPH·) and 2,2-azino-bis3-ethylbenzthiazoline-6-sulfonic acid (ABTS•+) as well as their ability to reduce Fe3+, Fe3+-TPTZ, and Cu2+. The antioxidant activities of both extracts were similar to those of standards in all assays. For instance, IC50 of EEAC and WEAC for scavenging DPPH were 19.8 and 69.3 μg/mL, respectively. We also assessed the inhibitory effects of EEAC and WEAC against acetylcholinesterase (AChE), α-amylase and α-glycosidase, which are associated with Alzheimer's disease and diabetes. The ethanol extract inhibited these enzymes with IC50 of 1.137, 0.172 and 0.511 μg/mL, respectively. The results of liquid chromatography-high resolution mass spectrometry (LC–HRMS) revealed that (-)-epigallocatechin was the main phenolic compound in both EEAC and WEAC. Molecular docking analysis revealed binding interactions between the main phenolic compounds (-)-epigallocatechin gallate, (-)-epigallocatechin, fumaric acid, hyperoside, and myricetin with AChE, α-amylase and α-glycosidase enzymes.