Table 3.

Interaction energies of compound 4 within the binding pockets of hMAO-A and hMAO-B.

Compound	Enzyme	ΔEint (kcal mol−1)a	vdW (kcal mol−1)b	EI (kcal mol−1)c
4	hMAO-A	−7.00	−7.43	0.3
	hMAO-B	−7.81	−7.82	0.1

^aTotal interaction energy.

^bvan der Waals contribution.

^cElectrostatic interaction.