TABLE 2

Molecular docking results: docked ligand scoring parameters and interacting amino acid residues

Properties/Ligand	Binding Energy	Predicted Inhibition Constant	Ligand Efficiency	Intermolecular Energy	van der Waal’s Desolvation Energy^{^a}	H Bond	Hydrophobic Interactions
	kcal/mol	µM		kcal/mol	kcal/mol
cis,cis	−4.42	572.09	−0.49	−4.72	−4.51	Tyr220, Gln224	Tyr220, Phe221, Leu268
trans,trans	−4.38	620.36	−0.49	−4.67	−4.42	Tyr220, Gln224	Tyr220, Phe221, Leu268
cis,trans	−4.21	813.66	−0.47	−4.51	−4.36	Tyr220, Gln224	Tyr220, Phe221, Leu268
Propofol	−4.96	231.96	−0.38	−5.85	−5.71	Gln224	Tyr220, Thr225, Leu268, Gln224

↵^a van der Waal’s desolvation energy = van der Waal’s + H bond + desolvation energy.