Analysis of the Mechanism of Action of Huatan Zhike Mixture in the Treatment of Chronic Obstructive Pulmonary Disease Based on Network Pharmacology and Mo⁃ lecular Docking Techniques
Abstract: Objective: To analyze the potential mechanism of action of Huatan Zhike Mixture, a hospital preparation of Lishui Traditional Chinese Medicine Hospital Affiliated to Zhejiang Chinese Medical University,in the treatment of chronic obstructive pulmonary disease (COPD) using network pharmacology and molecular docking techniques. Methods: The active ingredients and action targets of Huatan Zhike Mixture were screened using the BATMAN-TCM2.0 database. COPD-related targets were obtained from the HPO,GeDiPNet,MalaCards,and OMIM databases. After intersecting the targets to obtain potential therapeutic targets, a protein-protein interaction (PPI) network was constructed using the STRING database and R software to identify core targets. Gene Ontology (GO) functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were performed using the clusterProfiler package. Molecular docking of key active ingredients with core targets was validated using AutoDock Vina software. Results:A total of 211 active ingredients,1 284 action targets,328 COPDrelated targets,and 62 potential therapeutic targets were identified. Key active ingredients included luteolin,wogonin, β-ursolic acid, apigenin, quercetin, resveratrol, and β-sitosterol. PPI network analysis identified tumor necrosis factor (TNF), interleukin-6 (IL-6), and tumor protein P53 (TP53) as core targets. GO analysis mainly involved biological processes such as inflammatory response, hypoxia response, and regulation of apoptotic processes. KEGG analysis showed that the targets were primarily enriched in pathways including interleukin-17 (IL-17), TNF, and hypoxia-inducible factor-1 (HIF-1) signaling pathways. Molecular docking results indicated that the main active ingredients, luteolin and wogonin, exhibited strong binding affinity with the core target TNF. Conclusion: Huatan Zhike Mixture may act on core targets such as TNF,IL-6,and TP53 through active ingredients including luteolin and wogonin, regulating signaling pathways such as IL-17, TNF, and HIF-1, thereby inhibiting inflammation, alleviating hypoxia,and modulating apoptosis to exert its therapeutic effects in COPD.