Table 5.
The Docking scores of the compounds, 8 (a-e) against α-Amylase and ACE. Docking scores and Glide energies (kcal/mol).
| Protein |
α-Amylase (PDB ID: 4W93) |
Angiotensin-converting enzyme (PDB ID: 1O86) |
||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Ligand | Docking Score | Glide Evdw | Glide Energy | Glide Emodel | XP Hbond | Docking Score | Glide Evdw | Glide Energy | Glide Emodel | XP Hbond |
| 8a | -2.96 | -24.58 | -25.61 | -29.02 | -0.61 | -2.78 | -19.17 | -23.99 | -20.13 | -1.14 |
| 8b | -3.09 | -24.96 | -26.76 | -31.14 | -0.90 | -2.88 | -17.98 | -22.91 | -17.84 | -1.18 |
| 8c | -3.42 | -23.42 | -33.01 | -41.38 | -0.77 | -5.60 | -6.13 | -19.01 | -26.81 | -2.87 |
| 8d | -2.47 | -23.91 | -22.77 | -23.43 | 0.00 | -5.33 | -15.14 | -30.52 | -9.84 | -1.98 |
| 8e | -3.34 | -27.60 | -28.71 | -31.72 | -0.85 | -5.87 | -6.05 | -19.67 | -30.01 | -3.07 |
| Lisinopril | -- | -- | -- | -- | -- | -16.70 | -39.88 | -75.39 | -125.99 | -3.95 |