Figure 3.

The best docked poses of AChE receptor with (a) 9,12-Octadecadienoic acid, (b) n-Hexadecanoic acid, and (c) Tetradecanoic acid. Blue stick represents the ligands, in which carbon and its valanced hydrogen atoms are shown by blue color, whereas oxygen atoms are displayed by red color. The colors present in protein structure are based on the different amino acids, which exhibit in the protein. The 9,12-Octadecadienoic acid, n-Hexadecanoic acid, and Tetradecanoic acid exhibited high affinity with aromatic and basic amino acids present in the active site of AChE. The components with aromatic rings showed high affinity due to their π–π interactions with organic residues in the binding site of AChE. The most common amino acids involved in binding with ligands are Phe, Arg, His, Gly, Ala, Ser, Leu, and Gln. The amide groups and hydroxyl groups of amino acids are involved in making hydrogen bonds with the -COOH group of these ligands.