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 (DPPHGreek ano teleia) and 2,2-azino-bis3-ethylbenzthiazoline-6-sulfonic acid (ABTS*+) as well as their abil-ity 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 mg/mL, respectively. We also assessed the inhibitory effects of EEAC and WEAC against acetylcholinesterase (AChE), a-amylase and a-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 mg/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, a-amylase and a-glycosidase enzymes.(c) 2022 Published by Elsevier B.V. on behalf of SAAB.

Automated summary

The Acantholimon taxon, which includes thorny, perennial, and subshrub flowering plants, has been traditionally used for the treatment of liver disease and diabetes. This study investigated the radical scavenging activities and enzyme inhibitory effects of ethanol and water extracts of Acantholimon caryophyllaceum, as well as their phenolic compound composition. The extracts exhibited antioxidant activities comparable to the standards and showed potential as inhibitors of acetylcholinesterase, α-amylase, and α-glycosidase enzymes. The main phenolic compound identified was (-)-epigallocatechin.