Figure 5B presents the five drugs with the top interaction score for each biomarker. To evaluate the binding affinity between the biomarkers and their predicted drugs, we selected the top-scoring drug of each biomarker for molecular docking. However, as the molecular structure of the pertussis vaccine was not available in the PubChem database, only HMOX1–Stannsoporfin and ACE–cilazapril underwent further analysis, achieving docking scores of −10.1 kcal/mol and −9.0 kcal/mol, respectively (Supplementary Table S8), indicating strong binding affinities (Figure 5C,D). This evidence concerns the gene ACE and pertussis.