Table 1.

CDOCKER interaction energies of most favorable pose and IC₅₀ values of compounds.

Compound	CDOCKER Interaction energy (-Kcal /mol)	IC50 (μM)a
1	15.421	6.49
2	32.951	1.98
3	38.937	1.48
4	17.435	6.16
5	10.109	10.62
6	19.304	9.66
7	28.914	6.34
8	28.353	4.23
9	31.341	5.62
10	27.819	3.01
11	24.067	2.99
12	33.838	1.52
13	41.899	1.39
14	24.861	6.27
15	23.475	1.69
16	18.212	14.13
17	35.902	1.25
18	33.520	1.37
19	28.688	2.25
20	24.224	3.04
21	27.561	4.59
22	24.018	7.62
23	4.618	16.05
24	4.809	20.6
25	14.415	10.09
26	17.472	9.39
27	10.89	15.76
28	11.588	14.85
29	21.889	3.21
30	26.037	4.69
31	30.034	3.44
32	28.132	9.24
33	10.389	19.27
34	11.177	17.14
35	25.889	2.41
36	27.438	5.78
37	43.134	0.88

^aAhmed et al., 2013.