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. 2017 Oct 2;7:12483. doi: 10.1038/s41598-017-12932-0

Figure 5.

Figure 5

Summary of molecular docking analysis: (a) AChE and 2,3-dimethylmaleic anhydride docked complex, with solid surfaces representing hydrogen bonding sites (green), hydrophobic interactions (blue), substrate binding site (yellow), and catalytic triad (red). (b) 3D surface representation of 2,3-dimethylmaleic anhydride and AChE interactions with hydrogen bonding sites (green), hydrophobic interactions (blue), substrate binding site (yellow), and catalytic triad (red). (c) Schematic representation of the interaction in detail. (d) Plot showing total interaction energy (IE) possess by residues less than −2.0 kcal/mol of IE. (VDW: van der Waals interaction).