FIGURE 4.

(A): Prepared 3CL^pro docking target in the green cartoon model with docking volume highlighted in blue mesh representation. (B): Calculated docking pose of darolutamide shown in the yellow stick model superposed on the OEW reference ligand in the blue stick model. Emphasized are 3CL^pro individual binding pockets. (C): Calculated docking pose of nebivolol in the stick model colored magenta. (D): Calculated docking pose of amikacin in the orange-colored stick model. The 3CL^pro protein is shown in a green-colored line model, with the active site surface in gray and catalytic Ser144 highlighted in a red-colored stick model.