Hybrid caffeic acid derivatives as monoamine oxidases inhibitors: synthesis, radical scavenging activity, molecular docking studies and in silico ADMET analysis

Table 3 Human MAO inhibitory activity of caffeic acid derivatives

Sr. no	IC₅₀ (µM)^a hMAO-A	IC₅₀ (µM)^a hMAO-B	Selectivity index^b	Docking score hMAO-A	Docking score hMAO-B
1.	08.87 ± 0.005	42.34 ± 0.077	0.209	− 10.01	− 2.34
2.	08.51 ± 0.017	44.42 ± 0.014	0.191	− 11.11	− 3.45
3.	17.72 ± 0.006	21.14 ± 0.025	0.838	− 8.45	− 4.23
4.	18.47 ± 0.007	57.88 ± 0.029	0.319	− 7.12	− 3.87
5.	50.26 ± 0.035	10.80 ± 0.024	4.653	− 3.23	− 8.56
6.	20.36 ± 0.002	16.25 ± 0.035	1.252	− 6.56	− 7.53
7.	07.03 ± 0.022	24.14 ± 0.017	0.291	− 12.67	− 3.86
8.	19.75 ± 0.066	27.26 ± 0.072	0.724	− 6.12	− 5.34
9.	10.33 ± 0.012	27.25 ± 0.004	0.379	− 9.34	− 4.87
10.	25.22 ± 0.015	12.95 ± 0.046	1.947	− 4.72	− 8.45
11.	24.34 ± 0.011	21.48 ± 0.056	1.233	− 5.32	− 7.34
12.	22.02 ± 0.018	48.54 ± 0.077	0.453	− 6.27	− 3.86
Caffeic acid	11.72 ± 0.044	22.88 ± 0.009	0.512	− 10.63	− 7.53
Clorgyline	18.74 ± 0.096	–	–	− 5.773	–
Pargyline	–	20.04 ± 0.095	–	–	− 6.061

^aValues related for the evaluated compound absorption which provide 50% inhibition of MAO-A and MAO-B, action, and are the mean SEM; statistical significance: p < 0.05 against the equivalent IC₅₀ values achieved against MAO-A and MAO-B, as identified through ANOVA/Dunnett’s test
^bSelectivity index = IC₅₀ (MAO-A)/IC₅₀ (MAO-B)

ISSN: 2661-801X