Table 1.

Total (E_total) and interaction energies (E_int) of docked complexes. Energy is in units of kcal/mol, derived from cDocker module.

Protein	Compound	E total	E int
Envelope	Ritonavir	−37.43	−51.44
	Lopinavir	−32.79	−43.87
	Arbidol	−18.67	−38.62
	Remdesivir	−15.74	−52.20
	(S)-Chloroquine	−11.90	−32.82
	(R)-Chloroquine	−11.53	−28.51
	NHC	−2.04	−30.79
	Darunavir	−1.15	−36.71
	Triazavirine	−11.68	−23.69
ACE2	Arbidol	−16.65	−29.81
	(S)-Chloroquine	−13.68	−30.84
	(R)-Chloroquine	−11.91	−27.44
	NHC	−6.59	−35.24
	Ribavirin	13.03	−30.22
	Triazavirine	13.77	−24.35
Spike	(S)-Chloroquine	−17.11	−36.02
	(R)-Chloroquine	−16.89	−34.12
	NHC	−8.46	−38.22
	Triazavirine	6.05	−29.35
	Ribavirin	8.64	34.02
3CLpro	Ritonavir	−71.80	−67.97
	Lopinavir	−56.81	−56.89
	Darunavir	−31.39	−70.68
	Remdesivir	−6.70	−59.86
	Triazavirine	6.69	−29.07
Membrane	NHC	5.01	−30.36
	Triazavirine	7.11	−28.83
	Ribavirin	13.11	−34.42
	(R)-Chloroquine	53.06	1.32
	(S)-Chloroquine	64.59	8.58
Nucleocapsid	NHC	2.56	−35.84
	Triazavirine	7.02	30.89
	(S)-Chloroquine	7.85	−26.75
	(R)-Chloroquine	11.78	−23.96
	Ribavirin	16.72	−32.68