Table 2.

Autodock binding affinity values of ligands to the S glycoprotein (closed and open states) and 3-chymotrypsin-like protease

Ligand	Binding affinity values (kcal/mol)
	S glycoprotein state		3CLpro
	Closed	Open
	Tadalafil	−8.5	−8.7	−5.9
Tirofiban	−7.5	−5.6	−5.2
Paraxanthine	−6.3	−5.7	−4.7
Dexamethasone	−6.9	−7.7	−6.4
Gentian violet cation	−6.8	−7.4	−5.3
Salbutamol	−6.1	−6.5	−4.8
Amlodipine	−5.5	−6.0	−5.2
N, N’- Diacetylchitobiose	−7.2	−6.9	−5.6
N-Acetyl-2-deoxy-2-amino-galactose	−6.1	−4.7	−4.9
2-(Acetylamino)-2-deoxy-alpha-D-mannopyranose	−6.1	−5.3	−4.9

3CL^pro – 3-chymotrypsin-like protease