Grzelczyk_2026_Bioorg.Chem_175_109770

Acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) are the main enzymes responsible for the development and progression of Alzheimer's disease (AD). AChE and BChE hydrolyze acetylcholine (ACh), disrupting its management in neurotransmitters. In order to prevent and alleviate the symptoms of AD, the use of new compounds, chemo-enzymatically synthesized in environmentally friendly method from propenylbenzene derivatives as AChE and BChE inhibitors has been proposed. Molecular modeling and isothermal titration calorimetry were used to determine the AChE and BChE inhibition parameters. It has been observed that diols and hydroxy ketones have a significant inhibitory effect. In particular, 1-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol showed inhibitory effects in both research models. The results indicate that diols and hydroxy ketones bind to AChE and BChE at the active site. This further suggests that these compounds could potentially be used in supplements or functional foods to prevent AD.