Table 1.

Docking scores and binding energies of SARS-CoV-2 M^pro in complex with reference inhibitors and potential drugs shown with respective standard deviations. The reference inhibitors are indicated in italics.

No.	Name	Goldscore	Chemscore DG	MMPBSA Binding energy (kJ/mol)
1	Ceftaroline fosamil	82.33 ± 11.72	−33.62 ± 11.27	−231.89 ± 36.36
2	Telaprevir	68.78 ± 10.04	−29.32 ± 2.31	−143.62 ± 16.69
3	Ritonavir	48.53 ± 12.07	−25.77 ± 2.66	−122.01 ± 17.88
4	Clofazimine	66.05 ± 1.17	−33.41 ± 0.35	−104.63 ± 11.65
5	N3	66.03 ± 11.76	−26.64 ± 4.86	−104.39 ± 20.41
6	Lopinavir	60.86 ± 8.51	−26.09 ± 4.46	−101.17 ± 20.49
7	Everolimus	79.63 ± 13.78	−28.02 ± 8.23	−100.35 ± 45.38
8	Sildenafil	74.03 ± 7.79	−28.85 ± 3.81	−63.71 ± 32.34
9	Atorvastatin	76.06 ± 9.11	−33.95 ± 5.71	−59.72 ± 50.01
10	Remikiren	80.04 ± 11.09	−26.76 ± 11.34	24.68 ± 14.97