Table 4.
Docking Scores of the Interactions of Glycyrrhizic Acid and the Native Ligand with MDM2 and p53
| PDB ID | Native ligand | Glycyrrhizic Acid | ||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| S | RMSD (Å) | LA | AA | BT | D | S | RMSD (Å) | LA | AA | BT | D | |
| MDM2 (4HBM) | -12.91 | 0.546 | O | Lys94 | ScD | 1.85 | -10.52 | 1.718 | O;O | Lys94 | ScD | 2.03 |
| O | His96 | ScD | 2.02 | H | His96 | ArH | 2.85 | |||||
| O;O | Thr150 | ScD; ScD | 2.66; 2.77 | |||||||||
| p53 (2X0W) | -8.29 | 0.811 | C | Pro151 | ArH | 3.67 | -16.71 | 3.941 | O | Cys220 | ScD | 3.11 |
| O | Thr230 | ScD | 2.52 | |||||||||
S, docking score; RMSD, root mean square deviation; LA, ligand atom; AA, amino acid; BT, binding type; D, distance; ScD, sidechain donor; ScA, sidechain acceptor; ArH, arene H; BbD, backbone donor.