Table 2. Docking scores and 2D structures of the top 15 hits from the molecular docking study.
| Hit | Code | Structure | No. of sites matched | GlideScore (Kcal/Mol) |
|---|---|---|---|---|
| 1 | ZINC000000639429 |
|
5 | −8.706 |
| 2 | ZINC000000996474 |
|
5 | −8.493 |
| 3 | ZINC000000788680 |
|
5 | −8.49 |
| 4 | ZINC000000727953 |
|
5 | −8.451 |
| 5 | ZINC000000865538 |
|
5 | −8.416 |
| 6 | ZINC000000788703 |
|
5 | −8.349 |
| 7 | ZINC000000788677 |
|
5 | −8.309 |
| 8 | ZINC000000996257 |
|
5 | −8.265 |
| 9 | ZINC000000727950 |
|
5 | −8.236 |
| 10 | ZINC000000645906 |
|
5 | −8.213 |
| 11 | ZINC000000043974 |
|
5 | −8.187 |
| 12 | ZINC000000688914 |
|
5 | −8.179 |
| 13 | ZINC000000728386 |
|
5 | −8.177 |
| 14 | ZINC000000626028 |
|
5 | −8.169 |
| 15 | ZINC000000936880 |
|
5 | −8.132 |
| 16 | Standard compound (III) |
|
5 | −8.127 |