Table 2.

Molecular docking and Binding free energy scores

Target	Compound	Docking score (kcal/mol)	MM-GBSA (kcal/mol)
3CLpro	TF3	− 8.73	− 87.38
	Cognate	− 5.66	− 79.58
RdRP	TF3	− 5.94	− 85.35
	Remdesivir	− 6.63	− 76.01
	Cognate	− 7.86	− 55.28
Spike	TF3	− 6.56	− 77.32
PLpro	TF3	− 4.89	− 71.51
	Cognate	− 3.54	− 36.2
Endoribonuclease	TF3	− 5.12	− 80.97
	Cognate	− 4.33	− 54.59
Furin	TF3	− 4.51	− 66.95
	Cognate	− 9.49	− 57.94
TMPRSS	TF3	− 5.31	− 74.94
	Camostat	− 3.99	− 40.92
Helicase	TF3	− 7.63	− 70.41