HK2 and cancer: Based on binding energy, the top three compounds, Bayogenin (−7.2 Kcal/mol), asiatic acid (−7 Kcal/mol), and andrographolide (−6.9 Kcal/mol), were selected for molecular dynamics simulations (MDS) and confirmed that these compounds may be better and potential ligands for HK II, serving as inhibitors of HK II in cancer cells [153].