Network Pharmacology Combined with GEO Data Mining and Molecular Docking to Explore the Mechanism of Action of Platycodonis Radix and Houttuyniae Herba in the Treatment of Non-Small Cell Lung Cancer
Abstract:Objective:To explore the mechanism of action of Platycodonis Radix and Houttuyniae Herba in the treatment of non-small cell lung cancer (NSCLC) through network pharmacology combined with GEO data mining and molecular docking technology. Methods:The active ingredients and targets of Platycodonis Radix and Houttuyniae Herba were collected from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP), and disease-related targets were obtained from Gencards, OMIM and GEO databases. The common targets of Platycodonis Radix and Houttuyniae Herba and NSCLC were obtained by intersection of the two targets,and the drug active ingredient target interaction network was constructed by using Cytoscape 3.9.0 software to obtain core components. Obtain core targets through protein protein-interaction analysis of drug disease common targets through String Website. Conduct GO and KEGG enrichment analysis on common targets using the Metascape platform. Finally,AutoDock and PyMol software were used to perform molecular docking and visualization of core components and core targets. Results:Obtained a total of 7 active ingredients and 139 drug disease common targets. Among them,there were three core active ingredients:quercetin,luteolin and kaempferol. And 5 core targets: TP53, AKT1, JUN, TNF, EGFR. GO analysis yielded 2 281 related items. KEGG analysis revealed 326 signal pathways. Molecular docking showed strong affinity between Quercetin, Luteolin and Kaempferol with TP53,AKT1,JUN,TNF and EGFR. Conclusion:Platycodonis Radix and Houttuyniae Herba may exert anti-NSCLC effects through targets such as TP53,AKT1,JUN,TNF,EGFR,as well as cancer pathways and PI3K-AKT signaling pathways.