Table 3.
Binding energies and protein–ligand interaction details of PBP2a with 2-chlorounguinol, unguinol, nidulin and (E)-3-(2-(4-cyanostyryl)-4-oxoquinazolin-3(4H)-yl) benzoic acid by AutoDock Vina.
| Compounds | Binding free energy (kcal/mol) |
|---|---|
| 2-chlorounguinol | −6.7 |
| unguinol | −6.6 |
| nidulin | −6.0 |