Table 2.

List of ligands that have low binding energy with the COVID-19 PLpro protein.

	Zinc ID/Drug name	2D structure	Pharmacological	Docking score (kcal/mol)
				Glide	AutoDock Vina	rDock
1	ZINC000000004319/Labetalol		Hypertension treatment	−7.01	−7.4	−65.89
2	ZINC000002005305/Levomefolic acid		Active form of folic acid	−6.665	−7.3	−66.43
3	ZINC000003960338/Ramelteon		Sedative	−6.568	−7.7	−74.70
4	ZINC000000002272/Ketoprofen		Anti-inflammatory	−6.311	−7.5	−63.42
5	ZINC000011616925/Pralatrexate		Chemotherapy	−6.3	−8	−75.51
6	ZINC000000006156/Modafinil		Stimulant	−6.245	−6.9	−66.94
7	ZINC000004392649/Tasimelteon		Wake disorder treatment	−6.145	−6.9	−59.32
8	ZINC000004228257/Tetrahydrobiopterin		Dietary supplement	−6.042	−6.7	−51.98
9	ZINC000002570817/Bromfenac		Anti-inflammatory	−6	−7.7	−78.51
10	ZINC000040430143/Olaparib		PARP inhibitor	−6.1	−8.4	−60.34

The results are sorted based on Glide docking score.