Table 3.
Results of molecular docking experiments for ketoprofen, compounds 7d and 6d
| Compounds |
AutoDock binding
energy (kcal/mol) |
Residue | Ligand atoms | Distance (Å) | Interaction |
|---|---|---|---|---|---|
| ketoprofen | -6.68 | MET 595 | OH | 2.57 | Hydrogen bond |
| ARG 393 | CO | 2.74 | Hydrogen bond | ||
| 7d | -7.79 | ARG 393 | CO | 2.79 | Hydrogen bond |
| PHE 591 | C | 4.88 | H-pi | ||
| 6d | -8.67 | MET 595 | OH | 2.53 | Hydrogen bond |
| MET 598 | OH | 3.21 | Hydrogen bond | ||
| ARG 393 | CO | 2.77 | Hydrogen bond |