Table 1.

SARS-CoV-2 M^pro–drug docking summary.

e-Drug3D-lib	Ligand		Ciclesonide	Losartan	Telmisartan
Site-Specific Docking	Calculated Binding Affinity Score (kcal/mol)	1	−11.41	−9.14	−8.94
		2	−11.06	−9.14	−8.29
		3	−11.03	−9.14	−8.02
Blind Docking	Calculated Binding Affinity Score (kcal/mol)	1	−11.35	−9.14	−8.62
		2	−11.09	−9.13	−8.72
		3	−10.88	−9.14	−8.08
Drugs-lib	Ligand		Flezelastine	Hesperidin	Niceverine
Site-Specific Docking	Calculated Binding Affinity Score (kcal/mol)	1	−10.58	−9.87	−9.60
		2	−10.38	−10.61	−8.90
		3	−10.43	−10.72	−10.63
Blind Docking	Calculated Binding Affinity Score (kcal/mol)	1	−10.29	−10.98	−9.62
		2	−10.10	−9.78	−9.05
		3	−10.00	−9.16	−9.42
NP-lib	Ligand		NP1	NP2	NP3
Site-Specific Docking	Calculated Binding Affinity Score (kcal/mol)	1	−11.73	−10.55	−10.28
		2	−10.66	−10.37	−10.28
		3	−10.12	−10.47	−10.28
Blind Docking	Calculated Binding Affinity Score (kcal/mol)	1	−10.43	−10.70	−10.28
		2	−10.14	−10.84	−10.28
		3	−10.34	−10.65	−10.28