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Table 2 Comparison between theoretical affinity and experimental inhibition data of C5353

From: Molecular docking studies of coumarin hybrids as potential acetylcholinesterase, butyrylcholinesterase, monoamine oxidase A/B and β-amyloid inhibitors for Alzheimer’s disease

Compound hMAO-A hMAO-B
pIC50 ΔG (kcal/mol) pIC50 ΔG (kcal/mol)
C53 53 4.00 − 35.10 8.49 − 38.10