Table 3B.
Molecular docking data represented in terms of binding energy (ΔG) in Kcal/mole for ACE2 protein with drug ligands.
| Sr. No. | Drug | Binding energy AG(Kcal/Mol) |
|
|---|---|---|---|
| 6M18B | 6M18D | ||
| 1 | Ritonavir | −8.2 | −8.1 |
| 2 | Lopinavir | −8.6 | −8.9 |
| 3 | Remdesivir | −8.2 | −7.7 |
| 4 | Oseltamivir | −6 | −5.8 |
| 5 | Ribavirin | −6.2 | −6.3 |
| 6 | Mycophenolic acid | −6.5 | −6.4 |
| 7 | Chloroquine | −5.8 | −5.2 |
| 8 | Hydroxychloroquine | −6.2 | −6.5 |
| 9 | Pemirolast | −7.3 | −7 |
| 10 | Eriodictyol | −7.5 | −7.4 |
| 11 | Isoniazid | −5.2 | −5.2 |