Table 1.

Docking results for 23 small molecule compounds against the targets of SARS-CoV-2 (Mpro, PLpro, Nsp3AMP, Nsp3MES, RdRp RTP, Nsp14N7-MTase, Nsp16GTA, Nsp16MGP, Nsp16SAM).

Compou.No.	M pro	PL pro	Nsp3 AMP	Nsp3 MES	RDRP RTP	Nsp14N7 -MTase	Nsp16 GTA	Nsp16 MGP	Nsp16 SAM
1	−7.1	−9.6	−7.8	−7.3	−6.9	−11.2	−7.7	−7.7	−7.1
2	−7.3	−8.8	−7.5	−8.1	−7.5	−8	−8.5	−7.6	−7.8
3	−7.2	−9.3	−7.8	−8	−7.5	−9.1	−8.5	−8.3	−8.5
4	−7.9	−7.9	−7.2	−8.5	−7	−8.4	−8.2	−7.1	−8.2
5	−7.1	−7.5	−7.6	−6.9	−6.6	−7.8	−7.8	−6.59	−7.2
6	−7.4	−8	−7.3	−8.5	−7.2	−8.3	−8.4	−6.9	−8.5
7	−7.3	−8.1	−7.3	−9.1	−7.3	−8.4	−8.8	−7.2	−8.7
8	−7.4	−8.1	−7.1	−9.1	−7.1	−8.7	−8.7	−7	−8.7
9	−7.4	−8	−7.1	−8.5	−7.1	−8.5	−8.4	−6.9	−8.6
10	−7.4	−8	−6.8	−8.3	−7	−8.6	−8.1	−7	−8.1
11	−7.8	−8.5	−7.7	−8.7	−7.7	−8.8	−8.2	−6.9	−8.3
12	−7.6	−8.3	−7.2	−8.9	−7.4	−8.7	−8.5	−6.9	−8.4
13	−7.1	−7.6	−7.8	−7.3	−7	−7.9	−7.9	−6.8	−7.3
14	−5.7	−6.6	−5.8	−7	−6	−7.4	−6.3	−7	−6.2
15	−5.2	−5.8	−5.6	−6.7	−5.7	−6.7	−5.9	−5.3	−6
16	−5.2	−5.5	−5.4	−6.1	−6.6	−6.2	−5.6	−4.9	−5.6
17	−5.5	−5.9	−5.4	−6.4	−5.7	−6.6	−5.9	−5.1	−5.9
18	−4.4	−4.9	−4.7	−5.2	−5	−5.1	−5	−4.4	−4.9
19	−4.7	−5.5	−5.1	−5.7	−5.1	−5.2	−6	−4.8	−6
20	−4.9	−5.3	−5	−6	−5.2	−5.4	−5.6	−4.8	−5.4
21	−4.8	−5.4	−6	−5	−5.2	−5.5	−5.9	−5.1	−5.9
22	−6.1	−6.6	−6.9	−7	−5.2	−6.3	−6	−5.3	−6.1
23	−5.2	−6	−5.7	−6.2	−5.2	−5.7	−5.5	−5.7	−5.4
Liganda	−8.4	−7.6	−7.4	−5.5	−8.3	−8.2	−10.3	−7.5	−8.4

^aOrigin Ligands of Mpro, PLpro, Nsp3AMP, Nsp3MES, RdRp, Nsp14N7-MTase, Nsp16GTA, Nsp16MGP, Nsp16SAM: N3, VIR250, Adenosine Monophosphate (AMP), 2-(N-morpholino)-ethanesulfonic acid (MES), Remdesivir(RTP), Uridine-5′-Monophosphate, S-adenosyl-L-homocysteine (SAH), 7-methyl-GpppA (GTA), 7-methyl-guanosine- 5′-triphosphate (MGP), S-Adenosylmethionine (SAM), respectively.