Table 1.

The top 20 drug candidates from Smina docking output against human ACE2. Drugs were ranked from the lowest to the highest docking scores. The highest and lowest docking scores of human ACE2 belong to Ursodeoxycholic acid and Rhein drugs, respectively. The docking result of these compounds against the Spike protein of SARS-CoV-2 indicates a moderate binding affinity of them

Number	Name	Docking score (kcal mol−1)
		ACE2	Spike
1	Ursodeoxycholic acid	−8.74	−6.83
2	Pimozide	−8.52	−6.58
3	Indacaterol	−8.14	−7.46
4	Rofecoxib	−8.05	−6.52
5	Olsalazine	−8.05	−6.77
6	Meclizine	−7.92	−6.89
7	Methylergometrine	−7.85	−6.6
8	Labetalol	−7.77	−6.85
9	Lumacaftor	−7.74	−8.76
10	Luteolin	−7.77	−6.99
11	Granisetron	−7.69	−6.36
13	Levothyroxine	7.57	−6.01
14	Ketoprofen	7.57	−7.09
15	Cilostazol	−7.52	−6.27
16	Folic acid	−7.18	−6.80
17	Chrysin	−7.12	−6.48
18	Triazolam	−7.08	−6.99
19	Triamterene	−7.07	−6.57
20	Rhein	−6.88	−6.25