Table 3.

Docking results for the complex HssBChE/POX.

Oxime	The Best Pose (↓dOP/↑θOPO)
	dOP (Å)	θOPO	Energy of Interaction (kcal/mol)	Energy of H-bond (kcal/mol)	Interactions: H-bond	Interactions: Hydrophobic (π–π)
pralidoxime	5.600	148.21°	−57.770	−2.370	Thr120	Phe118, Phe329, Tyr332
obidoxime	5.623	168.15°	−135.823	−9.600	Gly115/Gly116, Tyr128, Tyr332	Phe73, Trp82, Tyr114, Tyr128, Phe329, Tyr332, Trp430, Tyr440, His438
HI-6	5.469	140.81°	−126.712	−4.851	Thr120, His438/Gly439	Trp82, Phe118, Phe329, Tyr332, Trp430, Tyr440, His438
K131	5.587	146.97°	−118.023	−2.859	Thr120	Trp82, Phe329, Tyr332, His438
K142	5.172	144.04°	−115.435	−2.431	Thr120	Trp82, Phe118, Phe329, Tyr332, His438
K153	5.414	133.13°	−109.310	−3.860	Thr120	Trp82, Phe118, Phe329, Tyr332