Table 1.
Docking scores (Kcal·mol−1) of the chalcones against the ZIKV NS2B-NS3 protease and the NS5 RdRp. Values were obtained using Autodock Vina [29] software.
| docking score (Kcal·mol−1) | |||
|---|---|---|---|
| compound | NS2B-NS3 Protease | NS5 RdRp† | |
| Allosteric pocket* | Catalytic site§ | N-pocket | |
| 4-HD | −8.0 | −6.5 | −3.1 |
| XA | −7.6 | −7.0 | −3.8 |
| XA-E | −8.0 | −7.2 | −4.4 |
crystallographic structures: PDB ID
5GXJ;
5YOD;
5TFR