Network-Based Pharmacology to Explore the Mechanism of Chaihu Shugan Powder's Intervention in Pulmonary Nodules

Abstract

Objective: Based on the results of drug mining for lung nodules in a real-world study, we investigated the mechanism of action of Chaihu Shugan powder in lung nodules using network pharmacology and molecular docking techniques, and provided a basis for clinical and basic research. METHODS: The main chemical components and corresponding targets of Chaihu Shugan powder were obtained in the TCMSP platform, the relevant targets of pulmonary nodules were obtained using GeneCards and OMIM databases, and the intersection targets of both were taken; the protein interaction network (PPI) was established using String database and mapped using Cytoscape software, while the CytoNCA plug-in was used to The core targets were screened by topological analysis; the GO biofunctional analysis and KEGG pathway analysis of the intersecting targets were carried out by R language software; the GO and KEGG gene enrichment analysis of the core targets were then carried out by the ClueGO plug-in in Cytoscape software to obtain the potential pathways of action of Chaihu Shugan powder in interfering with lung nodules; finally, the molecular docking between the active ingredients and the core targets was verified by Autodock software. Finally, the molecular docking of active ingredients and core targets was verified by Autodock software. The results showed that the main active compounds in Chaihu Shugan powder were able to bind well to the important targets in the core network. The results of KEGG enrichment analysis showed that the key targets were mainly enriched in small cell lung cancer, non-small cell lung cancer, TNF signaling pathway, IL-17 signaling pathway and other related pathways, involving multiple biological processes such as oxidative stress, inflammatory response and immune regulation. CONCLUSION: Chaihu Shugan powder intervenes in lung nodules with multi-component, multi-target and multi-pathway action characteristics. It is predicted that its main components, quercetin, lignan, kaempferol, naringenin and Chuan Chen Piin, may act on small cell lung cancer, non-small cell lung cancer, MAPK, PI3K/Akt, TNF, etc. through STAT3, MAPK3, MAPK1, JUN, TP53 and other targets This provides a more reliable theoretical basis for further research on the mechanism of Chaihu Shugan powder interfering with lung nodules.