Table 5 The QPLD docking scores (Kcal/mol) and H-bond interactions between the verified compounds 2–9 and PI3Kα
Compound no | Docking score (Kcal/mol) | H-bond |
|---|---|---|
2 | − 6.03 | K802 |
3 | − 5.93 | K802 |
4 | − 5.78 | D933 |
5 | − 6.16 | H917, D933 |
6 | − 5.69 | S774, D933 |
7 | − 5.68 | NA |
8 | − 5.36 | K802 |
9 | − 4.58 | NA |