Table 1 Molecular docking simulations between the 3D-modelled DDI1-like proteins from T. cruzi and HIV-PIs
From: Docking simulation between HIV peptidase inhibitors and Trypanosoma cruzi aspartyl peptidase
TcRP-A | TcRP-B | HIV-1 peptidase | |||
|---|---|---|---|---|---|
Compounds | DS | Compounds | DS | Compounds | DS |
1. Pepstatin A | − 9.526 | 1. Ritonavir | − 8.244 | 1. Saquinavir | − 12.086 |
2. Ritonavir | − 7.667 | 2. Pepstatin A | − 7.898 | 2. Atazanavir | − 12.073 |
3. Lopinavir | − 7.157 | 3. Lopinavir | − 7.869 | 3. Nelfinavir | − 10.810 |
4. Saquinavir | − 6.557 | 4. Nelfinavir | − 6.624 | 4. Tipranavir | − 10.573 |
5. Indinavir | − 6.527 | 5. Darunavir | − 6.072 | 5. Lopinavir | − 10.369 |
6. Tipranavir | − 6.318 | 6. Saquinavir | − 5.213 | 6. Ritonavir | − 9.907 |
7. Amprenavir | − 6.115 | 7. Amprenavir | − 4.824 | 7. Indinavir | − 9.171 |
8. Nelfinavir | − 6.076 | 8. Indinavir | − 4.781 | 8. Darunavir | − 8.874 |
9. Darunavir | − 5.729 | 9. Tipranavir | − 4.673 | 9. Amprenavir | − 8.764 |
10. Benznidazole | − 4.147 | 10. Atazanavir | − 4.5 | 10. Pepstatin A | − 8.388 |
11. Atazanavir | − 1.664 | 11. Benznidazole | − 3.662 | 11. Benznidazole | − 5.343 |