Discovery of Potential Inhibitors of Aldosterone Synthase from Chinese Herbs Using Pharmacophore Modeling, Molecular Docking, and Molecular Dynamics Simulation Studies

<div>Trajectory of the MD simulation of fadrozole and two potential inhibitors. (a) Average backbone RMSD. (b) Total energy of complexes. (c) Distance between H of compound and O of GLU310. Blue indicates fadrozole, red indicates ethyl caffeate, and green indicates labiatenic acid.</div>

BioMed Research International

fig5

Figure 5

Figure 5: Discovery of Potential Inhibitors of Aldosterone Synthase from Chinese Herbs Using Pharmacophore Modeling, Molecular Docking, and Molecular Dynamics Simulation Studies 

Figure 5 | Discovery of Potential Inhibitors of Aldosterone Synthase from Chinese Herbs Using Pharmacophore Modeling, Molecular Docking, and Molecular Dynamics Simulation Studies 