Table 2.
Binding energy scores for the tested acids (AAK1 enzyme).
| Compound no. | Energy score (kcal/mol) | Energy score using Autodock Vina (kcal/mol) |
|---|---|---|
| 16 | − 10.68 | − 10.52 |
| 17 | − 17.15 | − 16.21 |
| 20 | − 9.40 | − 9.33 |
| Co-crystallized ligand | − 13.28 | − 13.15 |
Binding energy scores for the tested acids (AAK1 enzyme).
| Compound no. | Energy score (kcal/mol) | Energy score using Autodock Vina (kcal/mol) |
|---|---|---|
| 16 | − 10.68 | − 10.52 |
| 17 | − 17.15 | − 16.21 |
| 20 | − 9.40 | − 9.33 |
| Co-crystallized ligand | − 13.28 | − 13.15 |