Table 5.

Van der Waals interaction, electrostatic, polar salvation, SASA, binding energy in kJ/mol for selected docked ligand.

Conformations	Van der Waals/kJ/mol	Electrostatic/kJ/mol	Polar salvation/kJ/mol	SASA/kJ/mol	Binding energy/kJ/mol
ZINC27640214	–180.650 ± 12.761	–437.862 ± 58.439	293.351 ± 76.045	–18.906 ± 1.371	–344.067 ± 56.660
ZINC43772052	–157.130 ± 14.502	–384.089 ± 57.352	418.686 ± 107.116	–18.970 ± 1.273	–141.503 ± 63.938
JA	–46.928 ± 13.934	–455.930 ± 57.423	245.737 ± 100.487	–7.887 ± 1.801	–265.008 ± 76.732