Table 2.
The binding energy of top-scoring ligands targeting AKT 2
S/N | PubChem ID | Compound name | Binding affinity (kcal/mol) |
---|---|---|---|
1 | 5281600 | Amentoflavone | − 12.5 |
2 | 5280637 | Cynaroside | − 10.2 |
3 | 107905 | Epicatechin gallate | − 10.2 |
4 | 442428 | Naringin | − 10 |
5 | 65064 | Epigallocatechin gallate | − 9.9 |
6 | 5280445 | Luteolin | − 9.7 |
7 | 5280343 | Quercetin | − 9.7 |
8 | 25227436 | Capivasertib (reference drug) | − 8.4 |