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Molecular docking results along with structural characteristics of the control molecule and top four ligands.
| S/No. | Selected Ligands | Chemical Formula | AutoDock binding affinity (kcal/mol) | AutoDock Inhibition constant | Structure |
|---|---|---|---|---|---|
| 1 | ZINC000000596945 | C23H19NO3 | -8.4 | 626.72 nM |  |
| 2 | ZINC000040165265 | C25H38O8 | -7.9 | 1.48 µM |  |
| 3 | ZINC000040430143 | C24H23FN4O3 | -7.7 | 2.06 µM |  |
| 4 | ZINC000064033452 | C24H18F2N2O5 | -8.0 | 1.32 µM |  |
| 5 | VIR251 (Control) | C22H34N5O7 | -4.9 | 52.18 µM |  |
