TABLE 3.

Docking of SARS-CoV-2 Mpro and PLpro against different drugs.

Drug	Viral proteins	MolDock score	Protein – ligand interactions	H-bonds	Interacting amino acids
Lopinavir	Mpro	–114.628	–159.244	–10.981	Gln110, Thr111, Asn151
	PLpro	–123.992	–149.066	–2.542	Asn156, Try171
Chloroquine	Mpro	–93.634	–107.868	–2.500	Ser158
	PLpro	–84.358	–87.406	–7.268	Thr74, Arg82, Asn156
Hydroxychloroquine	Mpro	–95.414	–112.507	–5.438	Gln109, Ser158, Asn203,
	PLpro	–90.097	–89.041	–2.500	Tyr154
Ivermectin	Mpro	–114.860	–126.234	–7.944	Asn151, Asp153, Asn203
	PLpro	–180.765	–165.337	–21.212	Thr74, Asn128, Gln174, Leu178
Remdesivir	Mpro	–123.033	–137.126	–20.588	Gln110, Thr111, Asn151, Ser158, Thr292
	PLpro	–141.949	–137.610	–20.198	Thr74, Thr75, Asp76, Ala153, His175
Favipiravir	Mpro	–58.123	–50.902	–19.210	Thr111, Asn151, Arg298
	PLpro	–58.161	–72.140	–13.428	Phe173, Gln174, Leu178, Val202

Mpro, Main protease (PDB id = 6Y2E); PLpro, Papain like protease (PBD id: 6W9C).