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. 2019 Jun 18;9:8707. doi: 10.1038/s41598-019-45206-y

Figure 2.

Figure 2

(A) Interaction energies and binding of the C_9i, C_9k, 16A, and NSC749234 inhibitors in the active site of WT human telomerase according to CDOCKER and MOE rigid (GBVI/WSA dG) docking. The active site is shown as a surface model, and the inhibitor is shown as a stick model. (B) Binding modes of compound C_9i according to CDOCKER, MOE induced fit and rigid docking. In all, C_9i binds close to DNA binding region.