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Table 3 Molecular docking results of tested compounds (128)

From: Molecular docking study and antiviral evaluation of 2-thioxo-benzo[g]quinazolin-4(3H)-one derivatives

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