Table 2.

The interactions of the different ligands with AChE.

Ligands	Binding Free Energy (kcal/mol)	Interactions
		Hydrogen Bonding	Others
9,12-Octadecadienoic acid	−5.3	Asn283, Thr287, and Asn363	Ile282, Asn284, Ala286, Phe365, Leu601, Glu602, Gln605, and Ala606
n-Hexadecanoic acid	−4.5	-	Asp126, Met128, Tyr173, Asp336, Ser339, Pro345, Met346 Asp347, Phe348, Ala349, Trp391, and Tyr394
Tetradecanoic acid	−4.9	Thr287 and Asn363	Ile282, Asn284, Lys288, Pro289, Asp354, Phe365, Por432, Tyr433, and Phe434