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Phytochemical profiling of phenolic compounds in Acacia saligna and assessment of their cholinesterase inhibitory activity through both in vitro and in silico approaches
Abstract
Acacia saligna is a medicinal plant rich in phenolic compounds emerge a neuroprotective potential. This research aimed to identify its chemical constituents and investigate its cholinesterase inhibitory activities. LC–ESI–MS/MS was used to examine the phenolic profile of the ethanolic extract from aerial parts. Ellman's method was used to assess the cholinesterase inhibitory activity against acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). Molecular docking was used to examine ligand–enzyme interactions. Trans-ferulic acid (5144.375 μg/g DM) and catechin (4045.991 μg/g DM) were the main constituents among fifteen phenolic compounds identified. The extract revealed significant inhibition activities of A. saligna extract against both AChE and BChE enzymes, which have played an important role in the progression of Alzheimer's disorder. The extract inhibited acetylcholinesterase and butyrylcholinesterase by 50% (IC50) at concentrations of 44.74 ± 1.19 µg/mL and 22.93 ± 0.57 µg/mL, respectively. The molecular docking study revealed favorable binding affinities of key active site residues in both enzymes with several flavonoids, including rutin and naringenin. The results propose that A. saligna is a source of bioactive components that inhibit cholinesterase inhibitory capacities. However, further mechanistic and in vivo researches are needed to validate its therapeutic significance.
