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. 2022 Oct 7;10:e14120. doi: 10.7717/peerj.14120

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 graphic file with name peerj-10-14120-i001.jpg 5 −8.706
2 ZINC000000996474 graphic file with name peerj-10-14120-i002.jpg 5 −8.493
3 ZINC000000788680 graphic file with name peerj-10-14120-i003.jpg 5 −8.49
4 ZINC000000727953 graphic file with name peerj-10-14120-i004.jpg 5 −8.451
5 ZINC000000865538 graphic file with name peerj-10-14120-i005.jpg 5 −8.416
6 ZINC000000788703 graphic file with name peerj-10-14120-i006.jpg 5 −8.349
7 ZINC000000788677 graphic file with name peerj-10-14120-i007.jpg 5 −8.309
8 ZINC000000996257 graphic file with name peerj-10-14120-i008.jpg 5 −8.265
9 ZINC000000727950 graphic file with name peerj-10-14120-i009.jpg 5 −8.236
10 ZINC000000645906 graphic file with name peerj-10-14120-i010.jpg 5 −8.213
11 ZINC000000043974 graphic file with name peerj-10-14120-i011.jpg 5 −8.187
12 ZINC000000688914 graphic file with name peerj-10-14120-i012.jpg 5 −8.179
13 ZINC000000728386 graphic file with name peerj-10-14120-i013.jpg 5 −8.177
14 ZINC000000626028 graphic file with name peerj-10-14120-i014.jpg 5 −8.169
15 ZINC000000936880 graphic file with name peerj-10-14120-i015.jpg 5 −8.132
16 Standard compound (III) graphic file with name peerj-10-14120-i016.jpg 5 −8.127