Figure 9.
The poses and 3CLpro–compound interactions for three selected natural steroids. (Top) The binding poses of cortisol, estradiol, and testosterone are shown, using the same protein and ligand representations as well as color scheme as in Figure 1. (Bottom) The interactions were analyzed and plotted with LigPlot+ [36,37]. Hydrogen bonds are indicated by orange dashed lines between the atoms involved and the donor–acceptor distance is given in Å, while hydrophobic contacts are represented by gray arcs with spokes radiating towards the ligand atoms they contact. The contacted atoms are shown with spokes radiating back.