Fig. 4.

Molecular docking and interaction analysis of the ZL12138L vaccine with TLRs. 3D structural representation of the docking configuration between the ZL12138L vaccine (teal) and the TLR-2 molecule (pink, A upper panel) or TLR-4 molecule (pink, B upper panel), predicted using AlphaFold-3 and visualized with PyMOL. The inset shows a magnification of the key interface region, displaying detailed interactions between the vaccine and TLR-2 at the atomic level, highlighting potential binding sites and interaction residues. Then, LIGPLOT was used to analyze the key interacting residues between the ZL12138L vaccine and TLR-2 (A lower panel) or TLR-4 (B lower panel). This visualization identified critical residues involved in the interactions, including hydrogen bonds, hydrophobic contacts, and ligand bonds.