Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
Summary of the docking, enzymatic and antiviral results for the studied chalcones.
| Chalcone | NS3pro docking score (Kcal·mol−1) | NS5 RdRp docking score (Kcal·mol−1) | NS3pro IC50 (μM) | NS5 RdRp IC50 (μM) | Antiviral EC50 (μM) |
|---|---|---|---|---|---|
| 4HD | −8.0 | −3.1 | 47 ± 10 | - | 6.6 |
| XA | −7.6 | −3.8 (−9.0*) | 50 ± 5 | 6.9 ± 0.9 | - |
| XA-E | −8.0 | −4.4 | 18 ± 5 | - | 22 |
most favorable ensemble docking score
