Table 1 Binding energies (Kcal/mol) with 2D structures of top 10 lead compounds, control compound Sunitinib, and Pyrrolopyrimidine.
No | Compounds name | Pubchem ID | 2D structure | Score (Kcal/mol) |
|---|---|---|---|---|
1 | 6-Hydroxyluteolin | 5281642 |
| − 10.2 |
2 | Isorhamnetin | 5281654 |
| − 10.2 |
3 | Quercetin | 5280343 |
| − 10.0 |
4 | Kaempferol | 5280863 |
| − 10.0 |
5 | Rhamnazin | 5320945 |
| − 9.8 |
6 | beta-Bisabolene | 10104370 |
| − 9.1 |
7 | 4,6-Cholestadien-3beta-ol | 14795191 |
| − 8.9 |
8 | gamma-Bisabolene, (Z) | 3033866 |
| − 8.7 |
9 | Stigmasterol | 5280794 |
| − 8.6 |
10 | beta-Apo-13-carotenone | 5363697 |
| − 8.6 |
11 | Sunitinib (Control) | 5329102 |
| − 9.2 |
12 | Pyrrolopyrimidine inhibitor | Â |
| − 10.2 |
