Network pharmacology-based study on the mechanism of “Jiu Wei Zhu Huang San” in respiratory tract infections treatment

Abstract

Abstract Introduction “Jiu Wei Zhu Huang San” (JWZHS) is a Chinese patent drug that is effective against respiratory tract infections (RTIs). However, its underlying mechanisms are not clear. The objective of the present study was to identify the potential compounds of JWZHS and their therapeutic targets in the context of RTIs; in addition, we investigated the molecular mechanisms by adopting network pharmacology and molecular docking simulation approaches. Methods In the present study, the network pharmacology approach mainly comprised of identification of the compounds and their predicted therapeutic targets, network construction, protein-protein interaction (PPI) analysis, gene ontology, and pathway enrichment analysis. In addition, molecular docking simulation was adopted to assess the binding potential of selected target-compound pairs. Results The results identified eight potential therapeutic targets of JWZHS in upper respiratory tract infection (URTI) and pneumonia (TNF, IL6, IL1B, IL2, JUN, MAPK1, MAPK8 and EGFR). By clustering the PPI data of compound/disease targets, 2 modules were obtained. Molecular docking simulation revealed good binding affinity of the eight putative targets with the corresponding compounds. Enrichment analysis indicated that the therapeutic effect of JWZHS against URTI and pneumonia was possibly mediated via synergistic regulation of several biological pathways, such as signal transduction, immune system, cell growth, apoptosis, cancer, and other related signaling pathways. Conclusion Our results provide a preliminary explanation of the basic pharmacological effects of JWZHS against RTIs and characterize the potential underlying mechanisms. These findings provide a foundation for experimental research and eventual clinical application.