(A) The visualization of the five combinations with the smallest binding energy. Panels a, c, e, g, and i represent the molecular model of the compound is in the binding pocket of the protein. Green represents the chemical structure of the component. Yellow represents the part of the target that binds to the component. Blue color dotted represents the conventional hydrogen bonds between drug and target. Panels b, d, f, h, and j show the interactions between compounds and surrounding residues. In the plan, purple color dotted line represents conventional hydrogen bonds. (B) Heat map of the binding energy of between the compound and target. X-axis: protein targets, Y-axis: active compounds. The blue the color, the greater the stability of the binding between the component and target.