Table 1.

Evaluation of the binding affinity (kcal/mol) and interacting residues in the SARS-CoV-2- RBD/drug complexes.

Namedrug	binding affinity(kcal/mol)	HB-AAsa	NH-AAsb
Diammonium Glycyrrhizinate	−11.7545	Tyr449,Gln493, Ser494, Gly496,Gln498, Tyr505	Tyr453,Gly485,Phe486, Asn487,Tyr489,Tyr495, Asn501
Digitoxin	−11.2534	Lys403,Asp406,Gln409, Val417,Gly485	Arg408,Ile418,Tyr453, Cys488,Glu484,Gly485, Phe486,Asn487,Cys488, Tyr489
Ivermectin	−10.8697	Tyr453,Leu492,Gln493, Ser494,Asn502	Lys403,Tyr449,Lys452, Phe490,Tyr495,Gly502, Tyr505
Rapamycin (Sirolimus)	−10.5657	Lys403,Asp406,Arg408, Tyr453,Tyr489, Glu493, Ser494	Glu409,Gly416,Val417, Ile418,Tyr421,Tyr449, Leu455,Phe456,Tyr495, Gly496
Rifaximin	−10.5365	Tyr449,Tyrs453,Gln493, Ser494	Lys403,Leu455,Tyr495, Gly496,Tyr505
Amphotericin B	−10.5021	Tyr449,Lys452,Tyr453, Gln493,Ser494	Leu455,Phe456,Glu484, Phe490

^aHydrogen bonds forming Amino Acids, ^bNon-bonded contacts forming Amino Acids.