Fig. 11
Predicted docking interactions between NaV channels and SAF. The protein structure of a NaV channel was obtained from the Protein Data Bank (ID: 6Z8C), and the chemical structure of SAF was obtained from PubChem [compound CID: 131682 (3D conformer)]. A NaV channel was docked with SAF (yellow dashed box on the left) using PyRx; the corresponding interaction diagram was generated using LigPlot+. In the image on the right, the red arcs with spokes radiating toward the ligand (SAF) indicate hydrophobic interactions between SAF and several amino acid residues, whereas the green dashed line indicates the hydrogen bond between SAF and Lys 63, the length of which was 2.97 Å. The docking regions appear to be adjacent to the transmembrane region (position: residues 82–102) and the membrane segment (position: residues 46–67). The interactions probably alter structural constraints, thereby increasing the open-state probability of NaV channels