TABLE 1.

Binding sites and binding energies of compounds 4c and 4a as obtained from different docking algorithms

Compounda	AutoDock4		AutoDock Vina		PatchDock/FireDock		SwissDock
	Energy (kJ/mol)	Site	Energy (kJ/mol)	Site	Energy (kJ/mol)	Site	Energy (kJ/mol)	Site
4c-1	−28.33	Small subunit	−30.96	Hinge	−31.27	Small subunit	−32.09	Hinge
4c-2	−26.48	Small subunit	−33.47	Hinge	−37.89	Small subunit	−32.80	Hinge
4a	−21.51	Small subunit	−27.61	Hinge	−28.48	Small subunit	−28.20	Hinge

^aCompounds 4c-1 and 4c-2 are stereoisomers separated from compound 4c (racemic).