A molecular docking approach was used to study the relationship between β-sitosterol and its main targets. Protein Data Bank (PDB; http://www.rcsb.org/pdb/home/home.do) was used to collect structural data of the key core genes and PubChem (https://pubchem.ncbi.nlm.nih.gov) was used to obtain chemical data of β-sitosterol. To simulate how β-sitosterol binds to the target protein, PyMol software was applied to dehydrate, hydrogenate, and charge. AutoDockTools-1.5.6 software was used to determine the location and size of the Grid box, the binding site of the disease target protein to the ligand. Autodock vina V1.1.2 software was used to complete the molecular docking and assess the affinity of the compounds to the target proteins. PyMOL software was used for visualization and numerical heat map analysis.