TABLE 3.

Binding energy of the docked poses of Chloroquine and Hydroxychloroquine on receptor binding domain of spike protein [128, 129]

Compound	Binding energy (kcal/mol)	Intermolecular energy (kcal/mol)	Electrostatic energy (kcal/mol)	Torsional energy (kcal/mol)
	Inhibition constant (mM)	Van der Waals + hydrogen bonding + desolvation energy (kcal/mol)	Total internal energy (kcal/mol)	Unbound energy (kcal/mol)
Chloroquine	−4.63	−7.02	0.1	2.39
	0.404	−7.11	−1.5	−1.5
Hydroxychloroquine	−3.85	−6.83	−0.05	2.78
	1.52	−6.78	−0.71	−0.71