Table 4.
Binding Affinity of ligands with selected Coxsackievirus vital protein receptors.
| No | Ligands | Binding Affinity (kcal mol−1) | ||
|---|---|---|---|---|
| Coxsackievirus adenovirus receptor | 3C-protease from coxsackievirus B4 | 3Dpol RNA dependent RNA polymerase | ||
| (PDB: ID 2J12) | (PDB: ID 8Y2U) | (PDB: ID 3DDK) | ||
| 1 | 11a | −5.80 | −8.10 | −8.50 |
| 2 | 11b | −6.50 | −9.50 | −9.50 |
| 3 | 11c | −6.30 | −9.40 | −9.40 |
| 4 | 13 | −5.70 | −5.60 | −8.10 |
| 5 | 3 | −4.75 | −6.50 | −7.30 |
| 6 | 7a | −6.80 | −9.70 | −10.90 |
| 7 | 7b | −5.60 | −8.50 | −9.30 |
| 8 | 7c | −6.80 | −9.30 | −9.80 |
| 9 | 7d | −4.50 | −8.85 | −9.00 |
| 10 | 9a | −4.80 | −7.10 | −8.60 |
| 11 | 9b | −4.50 | −7.15 | −8.50 |
| 12 | Pleconaril | −5.70 | −6.10 | −7.80 |