ArticleMolecules (Basel, Switzerland)2026
Phytochemical Phenolic Profile, Cholinesterase and α-Glucosidase Inhibitory Activities Rationalized by Molecular Docking, and Antioxidant Capacity of
Article in Molecules (Basel, Switzerland), 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
This study aimed to evaluate the antioxidant, anticholinesterase, and α-glucosidase (AG) inhibitory activities of the ethanolic leaf extract, characterize its phenolic composition, and investigate the interactions of the major identified phytochemicals with the target enzymes through molecular docking analysis. The phenolic profile was determined by LC-MS/MS, antioxidant activity was assessed using DPPH and ABTS radical scavenging assays, enzyme inhibitory activities against acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and AG were evaluated in vitro, and molecular docking was performed to examine ligand-enzyme interactions. Among the analyzed compounds, quercetin, myricetin, fumaric acid, vanillic acid, 4-hydroxybenzoic acid, and salicylic acid were identified as the predominant phenolics in the leaf extract. The extract exhibited DPPH and ABTS radical scavenging activities of approximately 19% and 11%, respectively. It also demonstrated potent enzyme inhibitory activity, with IC
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