Table 3.
Predicted binding energies for constituents present in Cornus capitata docked with α-glucosidase (PDB ID: 3WY1)
| S. No. | Molecules | Binding Energy (kcal/mol) | No. of H-bonds | Cluster RMSD | Reference RMSD |
|---|---|---|---|---|---|
| 3 | Betulinic acid | −10.21 | 0 | 0.00 | 25.81 |
| 4 | Epibetulin | −9.06 | 2 | 0.00 | 26.10 |
| 1 | Arjunolic acid | −6.60 | 2 | 0.00 | 26.51 |
| 6 | Maslinic acid | −5.27 | 3 | 0.00 | 24.01 |
| 5 | Lupeol | −4.79 | 2 | 0.00 | 26.16 |
| 2 | Betulin | −4.00 | 2 | 0.00 | 25.71 |