Phytochemical composition, antioxidant potential, and inhibitory activity on enzymes associated with carbohydrate metabolism and skin whitening with molecular docking of ten Achillea taxa

Several Achillea species have been reported to exhibit cytotoxic, wound-healing, antioxidant, and antibacterial activities. In this study, the phytochemical composition of aqueous ethanol extracts from ten Achillea taxa was investigated using LC–MS/MS analysis. The antioxidant potential of the extracts was evaluated, and their inhibitory effects on acetylcholinesterase, butyrylcholinesterase, tyrosinase, α-glucosidase, and α-amylase enzymes were assessed. Quinic acid (11.95–43.93 µg/mg), chlorogenic acid (9.82–32.75 µg/mg), cynaroside (9.82–32.75 µg/mg), and rutin (0.56–21.11 µg/mg) were identified as the major compounds. Among the tested species, Achillea teretifolia exhibited the strongest antioxidant activity in ABTS and DPPH assays, with IC50 values of 231.5 ± 0.72 and 11.31 ± 0.25 µg/mL, respectively. In contrast, Achillea lycaonica showed the most potent tyrosinase inhibition (IC50: 1.83 ± 0.26 µg/mL). The extracts also demonstrated inhibitory activity against α-amylase and α-glucosidase, with IC50 values ranging from 0.39 to 195.8 mg/mL and 0.19 to 39.18 µg/mL, respectively. Furthermore, molecular docking studies using AutoDock Vina and ChemOffice explored the interactions of quinic acid, the predominant phenolic compound, with tyrosinase, α-amylase, and α-glucosidase.