Fig 6. Stable docking mode of the selected ingredients obtained from AutoDock Vina docking simulations.

(A) Human ACE2. (B) Human TMPRSS2 model. Stable docking mode of test compounds is shown as CPK-colored tubes. The original crystal structure of the inhibitor is shown in black lines. A magenta sphere shows Zn²⁺ ion. Inhibitor-binding site located at 3 Å from all heavy atoms of the crystal inhibitor is shown in cyan color. Amino acid residues located at 3 Å from the inhibitor are shown using thin tubes with label. Hydrogen atoms are neglected.