Table 6.
Lipinski’s rule of five for ADME analysis of our inhibitors (ligands).
| No. | Name | Lipinski’s Rule of Five | Drug-Likeness | ||||
|---|---|---|---|---|---|---|---|
| Molecular Weight (g/mol) | Lipophilicity (MLog P) |
Hydrogen Bond Donors | Hydrogen Bond Acceptors | No. of Rule Violations | |||
| Less than 500 Dalton | Less than 5 | Less than 5 | Less than 10 | Less than 2 Violations | Lipinski’s Rule Follows | ||
| 1. | Teprotide | 1101.26 | −3.11 | 10 | 13 | 3: MW > 500, NH or OH > 5, N or O > 10, 1: MW > 500 |
No |
| 2. | Fosinopril | 563.66 | 3.74 | 1 | 7 | 0 | Yes |
| 3. | Moexipril | 498.57 | 1.54 | 2 | 8 | 0 | Yes |
| 4. | Quinapril | 438.52 | 2.17 | 2 | 6 | 0 | Yes |
| 5. | Lisinopril | 405.49 | −1.46 | 4 | 7 | 0 | Yes |
| 6. | Cilizapril | 417.50 | 1.79 | 2 | 7 | 0 | Yes |
| 7. | Trandolapril | 430.54 | 2.19 | 2 | 6 | 0 | Yes |
| 8. | Enalapril | 376.45 | 1.32 | 2 | 6 | 0 | Yes |
| 9. | Ramipril | 416.51 | 1.98 | 2 | 6 | 0 | Yes |
| 10. | Caprtopril | 217.29 | 0.45 | 1 | 3 | 0 | Yes |
| 11. | Benzapril | 424.49 | 2.23 | 2 | 6 | 0 | Yes |
| 12. | Perindopril | 368.47 | 1.36 | 2 | 6 | 0 | Yes |
| 13. | Allicin | 162.27 | 1.18 | 0 | 1 | 0 | Yes |