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Table 2 Docking results of the selected benzimidazole compounds

From: In-silico molecular design of heterocyclic benzimidazole scaffolds as prospective anticancer agents

Series S. no. Comp. code CDK8 (HCT116) 3ERT (MCF7)
Docking score Glide energy (kcal/mol) Docking score Glide energy (kcal/mol)
I 1 5 − 8.485 − 57.409 − 8.409 − 61.051
2 12 − 8.907 − 57.165 − 8.825 − 63.027
3 20 − 6.657 − 62.959 − 8.69 − 54.556
4 23 − 6.795 − 52.624 − 8.301 − 57.817
II 5 12 − 6.627 − 52.907 − 8.361 − 54.128
6 16 − 7.69 − 57.228 − 8.986 − 54.764
7 19 − 6.778 − 64.087 − 8.365 − 56.448
8 26 − 5.426 − 54.725 − 5.982 − 49.251
III 9 N8 − 6.148 − 56.817 − 7.878 − 58.473
10 N9 − 7.425 − 53.041 − 6.748 − 49.725
11 N14 − 5.787 − 47.184 − 7.983 − 50.79
12 N18 − 5.37 − 57.631 − 7.665 − 55.517
IV 13 W12 − 7.736 − 58.249 − 7.781 − 54.771
14 W15 − 5.558 − 52.555 − 7.884 − 51.905
15 W17 − 7.554 − 54.696 − 8.642 − 52.047
16 W20 − 9.686 − 52.697 − 7.703 − 58.783
V 17 Z24 − 7.295 − 47.998 − 7.275 − 45.298
18 Z27 − 5.616 − 41.802 − 7.98 − 42.365
Std. 5-Fu − 5.79 − 21.629 − 3.414 − 24.58