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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