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The lowest binding free energy (kcal/mol) obtained from docking of two different interfaces of NLRP3PYD with the most active ligands using the Autodock Vina tool.
| Compounds | Interface Type | The Lowest Binding Free Energy (kcal/mol) |
|---|---|---|
| QM380 | Ιa interface | −5.8 |
| Ιb interface | −4.9 | |
| QM381 | Ιa interface | −5.9 |
| Ιb interface | −4.9 |
