Figure 4.

AutoDock predicts docked energies and ligand binding sites on mGluR5. AutoDock, a computer-based modeling software program, was used to predict mGluR5-binding sites and calculate docked energies for (A) glutamate, (B) CHPG (a selective agonist), and (C) Hcy. Glutamate and CHPG are known to bind mGluR5, demonstrating the accuracy of the modeling program in our hands. The binding sites of mGluR5 for Hcy are in the same orthosteric pocket as the two known agonists, glutamate and CHPG. The docked energy for Hcy is intermediate between mGluR5 and CHPG, which suggests that Hcy is likely to bind mGluR5.