Table 5.

Docking result for tucatinib with coronovirus2 proteins

Parameters	6LU7	6W63	6M03	6LGZ
Energy	58.0421 kcal/mol	54.9743 kcal/mol	60.3017 kcal/mol	61.3409 kcal/mol
Simple fitness	58.0421 kcal/mol	54.9743 kcal/mol	60.3017 kcal/mol	61.3409 kcal/mol
Full fitness	− 1276.2 kcal/mol	− 1238.6 kcal/mol	− 1243 kcal/mol	− 3497.5 kcal/mol
Interfull fitness	− 68.14 kcal/mol	− 58.674 kcal/mol	− 59.893 kcal/mol	− 62.734 kcal/mol
Intrafull fitness	11.7314 kcal/mol	5.60706 kcal/mol	9.84711 kcal/mol	9.53814 kcal/mol
Solvent full fitness	− 1439 kcal/mol	− 1405.4 kcal/mol	− 1413.6 kcal/mol	− 3978 kcal/mol
Surface full fitness	219.201 kcal/mol	219.847 kcal/mol	220.597 kcal/mol	533.718 kcal/mol
Extra full fitness	0 kcal/mol	0 kcal/mol	0 kcal/mol	0 kcal/mol
ΔG complex solvent polar	− 1439 kcal/mol	− 1405.4 kcal/mol	− 1413.6 kcal/mol	− 3978 kcal/mol
ΔG complex solvent non-polar	219.201 kcal/mol	219.847 kcal/mol	220.597 kcal/mol	533.718 kcal/mol
ΔG protein solvent polar	− 1411.4 kcal/mol	− 1372.1 kcal/mol	− 1385.7 kcal/mol	− 3956.8 kcal/mol
ΔG protein solvent non-polar	221.095 kcal/mol	222.123 kcal/mol	221.3 kcal/mol	533.989 kcal/mol
ΔG ligand solvent polar	− 62.539 kcal/mol	− 61.961 kcal/mol	− 64.017 kcal/mol	− 63.078 kcal/mol
ΔG ligand solvent non-polar	10.0198 kcal/mol	9.94932 kcal/mol	9.90626 kcal/mol	9.90859 kcal/mol
ΔG van der Waals force	− 68.14 kcal/mol	− 58.674 kcal/mol	− 59.893 kcal/mol	− 62.734 kcal/mol
ΔG electric force	0 kcal/mol	0 kcal/mol	0 kcal/mol	0 kcal/mol
Total ΔG	− 9.4248 kcal/mol	− 8.9381 kcal/mol	− 8.4504 kcal/mol	− 8.3247 kcal/mol