Fig. 8

Molecular docking analysis of IRN with SAH hub genes. (A) Chemical structure of IRN. (B–E) Docking interactions between IRN and the four hub genes (CCL20, IL6, TLR4, and MMP9). The binding energies are displayed, with values below − 5.0 kJ/mol indicating strong binding affinity. Three of the docking simulations show binding energies below − 5 kJ/mol, suggesting a favorable interaction between IRN and these target proteins. The docking conformations are visualized using PyMOL software. (F) WB Analysis of hub genes.