Research Paper Volume 13, Issue 12 pp 16620—16636

Computational study on new natural compound agonists of dopamine receptor

(A) ZINC000008860530-Dopamine D2 Receptor complex. Schematic drawing of interactions between ligands and Dopamine D2 Receptor, and the Ionizability surface of the junction pocket was added, blue represented basic ionization, red represented acid ionization, and ligands were shown in sticks, the structure around the ligand-receptor junction were shown in thinner sticks. (B) ZINC000004096987-Dopamine D2 Receptor complex. Schematic drawing of interactions between ligands and Dopamine D2 Receptor, and the Ionizability surface of the junction pocket was added, blue represented basic ionization, red represented acid ionization, and ligands were shown in sticks, the structure around the ligand-receptor junction were shown in thinner sticks. (C) Bromocriptine-Dopamine D2 Receptor complex. Schematic drawing of interactions between ligands and Dopamine D2 Receptor, and the Ionizability surface of the junction pocket were added, blue represented basic ionization, red represented acid ionization, and ligands were shown in sticks, the structure around the ligand-receptor junction were shown in thinner sticks.

Figure 2. (A) ZINC000008860530-Dopamine D2 Receptor complex. Schematic drawing of interactions between ligands and Dopamine D2 Receptor, and the Ionizability surface of the junction pocket was added, blue represented basic ionization, red represented acid ionization, and ligands were shown in sticks, the structure around the ligand-receptor junction were shown in thinner sticks. (B) ZINC000004096987-Dopamine D2 Receptor complex. Schematic drawing of interactions between ligands and Dopamine D2 Receptor, and the Ionizability surface of the junction pocket was added, blue represented basic ionization, red represented acid ionization, and ligands were shown in sticks, the structure around the ligand-receptor junction were shown in thinner sticks. (C) Bromocriptine-Dopamine D2 Receptor complex. Schematic drawing of interactions between ligands and Dopamine D2 Receptor, and the Ionizability surface of the junction pocket were added, blue represented basic ionization, red represented acid ionization, and ligands were shown in sticks, the structure around the ligand-receptor junction were shown in thinner sticks.