Table 7.
Molecular docking and non-covalent interaction parameters
| Targets | Ligand | Free energy (kcal/M) | Ki/Kd (μM) | Interactions |
|---|---|---|---|---|
| ALDOA | 6MF | − 6.3 | 23.82 |
Hydrophobic Interaction Hydrogen Bond |
| ENO3 | 6MF | − 7.2 | 5.21 |
Hydrophobic Interaction Hydrogen Bond π-Stacking |
| GPI | 6MF | − 8.2 | 0.96 |
Hydrophobic Interaction Hydrogen Bond |
| LDHA | 6MF | − 7.3 | 4.4 |
Hydrophobic Interaction π-Stacking |
| LDHB | 6MF | − 7.2 | 5.21 |
Hydrophobic Interaction Hydrogen Bond π-Stacking |
| PGK1 | 6MF | − 7.7 | 2.24 |
Hydrophobic Interaction Hydrogen Bond |
| PGM1 | 6MF | − 8.3 | 0.81 | Hydrophobic Interaction |
| PKM | 6MF | − 8.9 | 0.29 |
Hydrophobic Interaction Hydrogen Bond |
| TPI1 | 6MF | − 7.3 | 4.4 |
Hydrophobic Interaction Hydrogen Bond |
Abbreviations: Ki inhibition constant, Kd dissociation constant, 6MF 6-methoxyflavone