Table 2.

Docking Scores (DS) of 22 active compounds identified from screening of DrugBank

DRUGBANK ID	DS XP + P1	DS XP + P2	DS XP + P3
DB00631	− 8.06	− 8.61	− 7.98
DB00962	− 9.46	− 8.02	− 9.14
DB01048	− 9.60	− 9.20	− 10.06
DB01280	− 9.29	− 8.86	− 10.18
DB01656	− 9.79	− 9.74	− 9.45
DB09290	− 10.20	− 8.44	− 8.84
DB04860	− 9.42	− 10.47	− 11.22
DB04954	− 9.65	− 11.05	− 10.54
DB01959	− 9.02	− 8.62	− 9.14
DB02096	− 9.90	− 9.21	− 9.10
DB02407	− 9.20	− 7.36	− 7.79
DB02502	− 9.81	− 8.99	− 10.29
DB02984	− 10.60	− 8.26	− 8.20
DB03365	− 9.81	− 10.00	− 10.17
DB03749	− 8.61	− 9.01	− 8.87
DB03807	− 10.52	− 8.53	− 9.73
DB04518	− 10.40	− 9.32	− 9.63
DB04769	− 8.87	− 10.10	− 10.22
DB07051	− 9.69	− 9.23	− 9.28
DB07151	− 10.58	− 11.04	− 11.25
DB08048	− 7.75	− 8.32	− 8.79
DB08485	− 11.25	− 7.57	− 11.51

The top-5 binders for each docking condition (XP + P1, XP + P2, and XP + P3) are in italics