Figure 7.

Docking results for selected bisartans and related ARBs to the zinc-dependent endopeptidase NEP (PDB ID: 5JMY). (A) The Zn²⁺ pocket is enclosed by the bounding box and the zinc ion is circled (magenta sphere). Docking was performed with AutoDock Vina. AutoDock Vina was able to correctly predict the X-ray pose of the bound inhibitor LBQ657 (see Figure 9A below), with an RMSD value < 0.01Å. (B). Bisartan BisA exhibited the strongest binding, with two other bisartans ranking in the top-five scoring positions.