Table 2 Free binding energy values and structures for top ten NCI hits
S.No | Inhibitors | ΔG values (kcal/mol) | Molecular Weight |
|---|---|---|---|
1. | NSC 11535 | -9.03 | 291.08 |
2. | NSC 286493 | -8.78 | 256.24 |
3. | NSC 5598 | -8.76 | 212.19 |
4. | NSC 115134 | -8.61 | 226.21 |
5. | NSC 105301 | -8.53 | 246.63 |
6. | NSC 62754 | -8.43 | 245.06 |
7. | NSC 62757 | -8.35 | 166.14 |
8. | NSC 157880 | -8.32 | 224.20 |
9. | NSC 62753 | -8.16 | 206.20 |
10. | NSC 139986 | -8.16 | 246.63 |