Table 2.
The minimum binging energy of the docked structures (kcal mol-1).
| Complex | CatB | HDAC7 | HDAC2 | Kinase | rHA | RNR | TopII | TS |
|---|---|---|---|---|---|---|---|---|
| 1 | -6.28 | -8.14 | -6.50 | -6.77 | -6.28 | -7.59 | -7.33 | -6.87 |
| 2 | -6.45 | -9.60 | -6.42 | -8.19 | -7.09 | -7.38 | -7.07 | -8.31 |
| 3 | -6.41 | -7.89 | -6.10 | -6.92 | -7.15 | -7.05 | -7.13 | -6.78 |
| 4 | -7.29 | -8.33 | -6.20 | -7.87 | -7.32 | -7.07 | -7.11 | -6.89 |
| 5 | -6.19 | -8.20 | -6.01 | -7.67 | -6.34 | -6.98 | -6.03 | -7.08 |
| 6 | -6.07 | -7.50 | -6.02 | -7.40 | -6.39 | -7.00 | -5.95 | -6.56 |
| 7 | -6.50 | -7.52 | -5.78 | -6.76 | -6.91 | -7.32 | -6.68 | -6.61 |
| 8 | -6.95 | -8.55 | -7.09 | -7.67 | -7.25 | -7.61 | -7.85 | -7.25 |
| 9 | -6.14 | -7.05 | -4.80 | -6.50 | -5.81 | -5.67 | -5.65 | -5.70 |
| 10 | -6.76 | -9.50 | -6.06 | -8.12 | -6.79 | -8.25 | -7.07 | -7.85 |
| 11 | -7.03 | -8.31 | -6.31 | -6.13 | -6.14 | -7.18 | -6.11 | -6.53 |
| 12 | -6.84 | -8.10 | -6.51 | -6.58 | -6.11 | -6.50 | -7.91 | -7.18 |
| 13 | -6.55 | -8.94 | -6.00 | -7.69 | -6.68 | -7.65 | -6.92 | -7.17 |
| 14 | -6.38 | -8.87 | -6.01 | -8.13 | -6.54 | -7.79 | -7.26 | -7.40 |