Table 4.

In vitro and computational cholinesterase inhibition data for compounds 4–21.

Compound	AChE			BuChE
	In vitro	Computational		In vitro	Computational
	IC50 (µM) ± SEM	ΔG (kcal mol−1)	Ki (µM)	IC50 (µM) ± SEM	ΔG (kcal mol−1)	Ki (µM)
4	0.340 ± 0.007	−6.29	24.54	0.499 ± 0.003	−6.47	18.17
5	356.1 ± 4.73	−5.29	132.58	0.553 ± 0.038	−6.21	27.87
6	467.9 ± 4.98	−5.05	197.98	NT	−5.15	168.81
7	12.69 ± 0.62	−6.16	30.68	NT	−5.37	114.9
8	45.53 ± 1.36	−6.21	28.08	NT	−5.31	129.13
9	3.926 ± 0.014	−6.51	16.96	NT	−5.98	41.56
10	96.37 ± 2.81	−5.6	78.3	NT	−6.23	27.26
11	584.4 ± 7.92	−5.03	205.05	NT	−5.22	148.87
12	101.2 ± 1.58	−5.63	74.59	NT	−5.91	46.66
13	140.7 ± 3.11	−5.46	99.58	NT	−6.3	24.18
14	10.67 ± 0.56	−6.08	34.85	NT	−5.69	67.04
15	872.0 ± 4.38	−5.4	109.84	NT	−5.22	149.56
16	4.864 ± 0.81	−6.68	12.76	1.757 ± 0.035	−6.19	28.79
17	11.54 ± 0.35	−6.38	21.08	0.024 ± 0.002	−6.99	7.52
18	2.662 ± 0.084	−7.3	4.46	NT	−6.03	38.26
19	1.450 ± 0.047	−7.05	6.8	5.718 ± 0.874	−6.22	27.57
20	54.85 ± 0.92	−5.77	58.85	NT	−6.44	19.09
21	0.2645 ± 0.009	−6.71	11.97	5.368 ± 0.278	−6.33	23.02
DPZ	0.021 ± 0.005	−6.01	39.45	–	–	–
TAC	0.225 ± 0.04	–	–	5.1 ± 0.2*	−5.35	119.26

^*Data from Ref. [60] and is expressed in nanomolars (nM).

NT – Not tested.Each IC₅₀ value is the mean ± SEM. Level of statistical significance: p < .05 versus the corresponding IC₅₀ values obtained against AChE, as determined by ANOVA/Dunnett’s. Reference inhibitors: DPZ – Donepezil, TAC – Tacrine.