Table 1.
Dock scores of 14 inhibitors along with exemestane in the order of their CDOCKER interaction energy. Exemestane showed higher dock score than the other known drugs.
| S number | Compound number | -CDOCKER energy (kcal/mol) | -CDOCKER interaction energy (kcal/mol) |
|---|---|---|---|
| 1 | 22 | 22.54 | 55.76 |
| 2 | 30 | 25.63 | 55.50 |
| 3 | 28 | 30.32 | 55.40 |
| 4 | 8 | 21.03 | 55.2 |
| 5 | 42 | 29.80 | 54.99 |
| 6 | 74 | 28.80 | 54.96 |
| 7 | 16 | 14.36 | 54.44 |
| 8 | 27 | 32.14 | 53.84 |
| 9 | 34 | 25.96 | 53.08 |
| 10 | 9 | 27.97 | 51.79 |
| 11 | 37 | 19.56 | 50.78 |
| 12 | 7 | 17.91 | 50.17 |
| 13 | 12 | 26.78 | 49.83 |
| 14 | 29 | 23.32 | 49.45 |
| Exemestane | 10.25 | 48.27 |