Table 1.

Grid box parameters selected and active site of the target proteins

S/N	Target proteins	Center grid box (XYZ), Å	Dimension (XYZ), Å	Active site amino acid residues
1.	Papain-like protease, Nsp3 (PDB ID: 6W9C)	− 39.05 × 39.62 × 32.04	33.50 × 28.55 × 29.87	Cys111, His272, Asp286, Gly286, Trp106, Gly271, His73, Arg140, and Asn109 [7]
2.	Main protease, Nsp5 (PDB ID: 6 LU7)	−14.85 × 14.923 × 69.59	25.02 × 27.98 × 30.87	Thr25, Cys44, Thr26, His41, Met49, Tyr54, Phe140, Leu141, Gly143, Cys145, Asn142, His163, His164, Met165, Ser144, Glu166, Pro168, His172, Val186, Asp187, Arg188, Gln189, Phe185, Thr190, and Gln192 [29]
3.	RNA-Dependent RNA polymerase, Nsp12 (PDB ID: 6 M71)	123.944 × 136.894 × 128.548	20.84 × 18.27 × 25.00	Asp618, Ser759, Asp760, and Asp761 [25]
4.	Helicase, Nsp13 (PDB ID: 6XEZ)	−13.89 × 15.19 × −73.25	29.92 × 25.83 × 24.80	Lys288, Ser289, Asp374, Glu375, Gln404, and Arg567 [9]
5.	Nidoviral Uridylate-specific endoribonuclease, NendoU, Nsps15 (PDB ID: 6VWW)	− 91.15 × 21.86 × −30.63	20.62 × 25.00 × 24.23	His235, His250, Lys290, Thr341, Thr343, and Ser294 [10]