3.5 Molecular docking findings
From the interaction diagram of the original ligand and the protein-ligand complex, the data showed the amino acid residues where the original ligand GWS binding to the 5R84 protein. In the three-dimensional picture of puerarin, the binding force of puerarin small molecules with the protein included the residues of the original ligand, indicating that puerarin had a good binding activity with the 5R84 protein of NPC, as revealed in Figure 6.