Table 2.

The results obtained from docking analysis of COVID-19 main protease with 35 compounds.

No	∆Gbinding (kcal/mol)	Electrostatc Energy (kcal/mol)	vdW + Hbond + desolv Energy (kcal/mol)	Final Intermolecular Energy (kcal/mol)	Est. Inhibition Constant, Ki (µM)
1	-6.79	+0.15	-9.33	-9.18	10.46
2	-6.85	-0.14	-9.10	-9.24	9.53
3	-5.42	-0.72	-7.39	-8.10	106.93
4	-5.19	-0.36	-7.81	-8.18	155.8
5	-4.02	-0.28	-5.53	-5.81	1130
6	-4.56	-0.22	-6.72	-6.94	458.11
7	-7.89	-0.31	-8.77	-9.08	1.66
8	-8.11	-0.40	-9.50	-9.90	1.13
9	-8.96	-0.60	-9.85	-10.45	0.27149
10	-8.70	-0.62	-987	-10.49	0.42244
11	-5.58	-0.29	-7.08	-7.37	80.96
12	-5.32	-0.54	-5.97	-6.51	126.82
13	-8.51	-0.42	-9.88	-10.30	0.58149
14	-8.32	-0.33	-9.18	-9.51	0.7948
15	-9.12	-0.75	-9.86	-10.61	0.20594
16	-9.27	-0.80	-10.27	-11.06	0.15927
17	-6.02	-0.30	-7.51	-7.81	38.95
18	-5.74	-0.19	-6.74	-6.93	62.04
19	-9.57	-1.06	-10.29	-11.36	0.09676
20	-4.24	-0.87	-4.57	-5.44	773.82
21	-7.24	-3.81	-5.22	-9.03	4.95
22	-7.23	-0.38	-8.64	-9.02	5
23	-6.94	-0.35	-7.79	-8.14	8.12
24	-7.03	-0.78	-7.75	-8.52	7.03
25	-7.99	-0.80	-8.98	-9.78	1.39
26	-7.10	-0.73	-8.16	-8.89	6.21
27	-5.13	-0.68	-5.54	-6.23	173.36
28	-5.04	-0.69	-6.15	-6.83	200.67
29	-8.16	-0.50	-9.58	-10.08	1.04
30	-8.31	-0.37	-9.59	-9.96	0.8069
31	-8.58	-0.53	-9.70	-10.22	0.51533
32	-9.21	-0.57	-10.01	-10.58	0.17826
33	-5.80	-0.33	-7.12	-7.45	55.66
34	-4.65	-1.19	-4.65	-5.84	392.75
35	-6.76	-0.09	-8.04	-8.13	11.08
Adefovir	-4.18	-0.30	-6.27	-6.57	859.90
Foscarnet	-3.13	-2.04	-2.28	-4.32	512.5
Tenofovir	-4.97	-0.10	-10.24	-10.33	229.18
Sofosbuvir	-7.06	-0.50	-10.43	-10.94	6.71
Uprifosbuvir	-7.08	-0.14	-10.81	-10.96	6.47
Remdesivir	-6.75	-0.37	-11.46	-11.82	11.23