Table 5.
Molecular Docking of 5 molecules with ACE2
| Ligand name | Binding energy (Δg) | H- bond | Inhibition constant (µm) | Inter-molecular energy | VDW-H bond desolvation Energy | Ligand efficiency | Electrostatic energy |
|---|---|---|---|---|---|---|---|
| 5,7-Dimethoxyflavanone | − 7.02 | 1 | 7.13 | − 7.85 | − 7.88 | − 0.33 | 0.03 |
| Coniferin | − 4.93 | 7 | 244.86 | − 7.94 | − 7.9 | − 0.21 | − 0.04 |
| Flavanone | − 6.94 | 1 | 8.25 | − 7.21 | − 7.22 | − 0.41 | 0.01 |
| Podofilox | − 7.54 | 1 | 2.97 | − 8.91 | − 8.71 | − 0.25 | − 0.21 |
| Syringin | − 5.07 | 6 | 190.91 | − 8.37 | − 8.29 | − 0.2 | − 0.08 |