Table 1.

Experimental activities and MM/PBSA binding free energies.

	MAO-A			MAO-B
Cmpd	Inh%	pIC50	binding free energy	Inh%	pIC50	binding free energy
M29	75	5.6	−121.03 ± 0.92	12	4	−109.72 ± 1.07
M30	56	ND	−116.90 ± 1.09	22	ND	−102.79 ± 1.27
M31	92	6.3	−127.03 ± 1.28	16	4.2	−113.63 ± 1.26
M32	12	4.1	−112.54 ± 1.12	90	6.2	−122.61 ± 1.12
M33	41	ND	−115.25 ± 1.01	8	ND	−105.59 ± 1.08
M34	19	ND	−107.67 ± 0.99	40	ND	−111.18 ± 0.95
M43 (7a)	102	6.8	−129.34 ± 1.10	96	6.4	−135.59 ± 1.11
C18	-	4.8	−96.05 ± 1.31	-	7	−144.57 ± 1.29

*ND: the IC₅₀ values were not determined due to the low inhibitory activity. pIC₅₀ = −log(IC₅₀).