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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

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BMC Chemistry

ISSN: 2661-801X

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