Table 7.
Interaction energies (IE) and ligand efficiency (LE) of molecules docked into the active site of P-gp
| P-gp | ||
|---|---|---|
| Ligand | IE* | LE* |
| SAHA | -9.19 | -0.48 |
| 15a | -10.74 | -0.36 |
| 15c | -11.72 | -0.36 |
| 15g | -11.31 | -0.35 |
| 15j | -10.92 | -0.38 |
| 15k | -10.20 | -0.35 |
*Kcal/mol
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