Molecular docking of DS-3032B, a mouse double minute 2 enzyme antagonist with potential for oncology treatment development

Figure 1 Global alignment between 5SWK chain A (153 residues) and whole mouse double minute 2 (466 residues). Consensus region is located at position 56 - 153 of 5SWK chain A. The color of the residues represents the chemical characteristic of their side chains. MDM2: Mouse double minute 2.

Figure 2 Mouse double minute 2/protonated DS-3032B conformer. Mouse double minute 2 (MDM2) receptor is shown in ribbon and DS-3032B is shown in sticks. Only LEU 57, ILE 61, and TYR 67 bonds are shown. Bond size in Å.

Figure 3 Two-dimensional diagram demonstrating interactions between mouse double minute 2 chain A (5SWK) and protonated DS-3032B. Light green: Residues involved in Van der Waals interactions. Green: Residue involved in hydrogen bond. Lilac: Residue involved Pi-Sigma interaction. Pink: Residues involved in alkyl interactions. Numbers in spheres indicate the residue position. Bond size are shown (Å).