Table 3.

Docking energy of the SARS-CoV S-protein with and without ligands to human ACE-2.

Interaction of S-Protein and S-Protein/Drug Complex with ACE-2	Docking Energy (kcal/mol)
SARS-CoV S-protein (for comparison)	−92.7
SARS-CoV-2 S-protein	−82.2
SARS-CoV-2 S-protein/Ergotamine	56.4
SARS-CoV-2 S-protein/Amphotericin b	78.6
SARS-CoV-2 S-protein/Indinavir	−61.9
SARS-CoV-2 S-protein/Vancomycin	81.7
SARS-CoV-2 S-protein/Zafirlukast	52.6
SARS-CoV-2 S-protein/Lanicor	4.2
SARS-CoV-2 S-protein/Nelfinavir	−81.5
SARS-CoV-2 S-protein/Montelukast	−71.3
SARS-CoV-2 S-protein/Saquinavir	−48.2
SARS-CoV-2 S-protein/Carfilzomib	−88.1
SARS-CoV-2 S-protein/Lapatinib	−83.1
SARS-CoV-2 S-protein/Atovaquone	−68.2
SARS-CoV-2 S-protein/Celecoxib	−74.2
SARS-CoV-2 S-protein/Dasatinib	−42.3