Table 3.
Molecular docking results of tested compounds (1–28)
Ligand | MolDock score | Rerank score | Ligand | MolDock score | Rerank score |
---|---|---|---|---|---|
1 | −84.7301 | 11.9741 | 15 | −102.661 | 170.385 |
2 | −81.6688 | −54.7013 | 16 | −89.6801 | −49.3148 |
3 | −83.1126 | −64.3716 | 17 | −99.0106 | −61.5796 |
4 | −81.4295 | −47.6937 | 18 | −124.156 | −35.6187 |
5 | −84.4966 | −61.7217 | 20 | −108.311 | 3.82767 |
6 | −84.8156 | −57.6283 | 21 | −97.9703 | 146.694 |
7 | −97.1415 | −28.781 | 22 | −93.5541 | −43.7713 |
8 | −106.264 | −13.9656 | 23 | −86.1706 | 16.8665 |
9 | −109.555 | 16.3502 | 24 | −126.899 | −16.0488 |
10 | −124.852 | −41.5862 | 25 | −101.643 | −45.7134 |
11 | −101.561 | −24.4802 | 26 | −102.852 | 15.5337 |
12 | −112.213 | 10.1418 | 27 | −106.807 | −8.86485 |
13 | −98.2456 | 2.8343 | 28 | −84.8292 | 52.4014 |
14 | −98.3327 | −16.7182 | Ribavirin | −100.849 | −68.7835 |