Docking results of target protein and compound

According to Table 2, the selected targets after screening are MMP9, EGFR, MMP2, mTOR, erbB2, and MCL1. AutoDockTools 1.5.7 was utilized to determine the binding sites and affinities of CANA with these proteins. CANA interacts with these targets through visible hydrogen bonds and strong electrostatic interactions. The interactions and binding poses between the channels and selected targets were visualized, with key amino acid residues labeled in Figure 10, along with the distances between the atoms of the ligand and the key amino acid residues within the active sites of the respective target proteins (Figure 10). As shown in Table 3, the docking energies of CANA with these targets are all below -5.0 kcal/mol, indicating a stable binding affinity.