Targeting colorectal cancer with Herba Patriniae and Coix seed: Network pharmacology, molecular docking, and in vitro validation

Figure 8 Molecular docking results of the core targets. A: AKT1-Acacetin; B: AKT1-Bolusanthol B; C: AKT1-Luteolin; D: AKT1-Quercetin. The amino acid residues of the human target protein, AKT1, that interacted with luteolin and quercetin were THR-211, TYR-272, and GLN-79, and those that interacted with acacetin and bolusanthol B were THR-211, ASP-274, and THR-81, where the molecules matched well with the protein cavity. In the two-dimensional diagram of molecular interactions, the green dotted lines indicate hydrogen bonding and the red dashed lines indicate hydrophobic interactions, demonstrating directionality.