Table 3. Docking simulation results of active metabolites against the PI3K enzyme.
Active metabolites PubChem ID (CID) | Binding Score kcal/mol | Key amino acid residues | Type of binding |
---|---|---|---|
20393 | -6.6382 | Lys802 | 2 H-Bonds, Ionic |
5366701 | -6.5918 | lle848 | Hydrophobic |
Lys802 | H-Bond | ||
520339 | -6.5911 | lle848 | Hydrophobic |
Lys802 | H-Bond | ||
601548 | -5.2800 | Asp933 | Hydrophobic |