In Silico Investigation of Suaveolic Acid from Mesosphaerum suaveolens as an Acetylcholinesterase Inhibitor

Alzheimer’s disease (AD) is a progressive neurodegenerative disorder primarily believed to be managed by the inhibition of the enzyme Acetylcholinesterase (AChE). This study demonstrates an in silico molecular docking investigation of Suaveolic Acid, a triterpenoid derived from Mesosphaerum suaveolens, against human AChE (PDB ID: 4EY7). Docking simulations performed via AutoDock Vina revealed a high binding affinity of -9.087 kcal/mol. Analysis of the binding pose confirmed a critical interaction with the PHE 295 residue in the acyl pocket of the enzyme. These results suggest that Suaveolic Acid is a potent candidate for further in vitro validation as a natural AD therapeutic.