Table 3.

Evaluation of the binding free energies (kJ/mol)) and energy components (kJ/mol)) in the SARS-CoV-2-RBD/drug complexes.

Name drug	ΔEvdwa	ΔEeleb	ΔGpolc	ΔGnonpold	ΔGbinde
Diammonium Glycyrrhizinate	−201.495	−11.734	44.418	−14.418	−182.900
Digitoxin	−192.755	−1.784	76.812	−16.042	−133.789
Ivermectin	−131.07	−3.956	53.812	−8.146	−89.360

^aEvdw, van der Waals contribution; ^bΔEele, electrostatic contribution; ^cΔGpol, polar solvation energy; ^dΔGnonpol, nonpolar solvation energy; ^eΔGbind, binding energy; ΔGbind = ΔEvdw + ΔEele + ΔGpol + ΔGnonpol.