<![CDATA[Acetylcholine is an essential neurotransmitter in modulating the function of the human central nervous system. The pathogenesis of Alzheimer’s disease is characterized by an acetylcholine deficit resulting from the accumulation of beta-amyloid plaques and tau protein neurofibrillary tangles, which directly trigger cognitive decline in patients. To determine the binding energy and inhibition constants for the interactions between acetylcholine and acetylcholinesterase proteins with alpha-tocopherol and oleic acid. In silico analysis using molecular docking methods with Autodock Tools and Marvin Sketch software. The results of the docking analysis were then visualized using Discovery Studio and LigandScout software. The binding energies and inhibition constants of acetylcholine with oleic acid and alpha-tocopherol were -4.96 kcal/mol and 229.99 μM, and -6.35 kcal/mol and 22.13 μM, respectively. The binding energies and inhibition constants of acetylcholinesterase for oleic acid and alpha-tocopherol were -5.11 kcal/mol and 179.45 μM, and -8.35 kcal/mol and 0.75845 μM, respectively. Oleic acid and alpha-tocopherol can interact with acetylcholine and acetylcholinesterase through the formation of hydrogen bonds.]]>
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