Unraveling the Core Components and Critical Targets of Thunb. in Treating Non-small Cell Lung Cancer through Network Pharmacology and Multi-omics Analysis.

OBJECTIVE

This study aimed to preliminary explore the molecular mechanisms of Thunb. (; Saururaceae) in treating non-small cell lung cancer (NSCLC), with the goal of screening drug potential targets for clinical drug development.

METHODS

This study employed a multi-omics and multi-source data integration approach to identify potential therapeutic targets of against NSCLC from the TCMSP database, GEO database, BioGPS database, Metascape database, and others. Meanwhile, target localization was performed, and its possible mechanisms of action were predicted. Furthermore, dynamics simulations and molecular docking were used for verification. Multi-omics analysis was used to confirm the selected key genes' efficacy in treating NSCLC.

RESULTS

A total of 31 potential therapeutic targets, 8 key genes, and 5 core components of against NSCLC were screened out. These potential therapeutic targets played a therapeutic role mainly by regulating lipid and atherosclerosis, the TNF signaling pathway, the IL-17 signaling pathway, and others. Molecular docking indicated a stable combination between MMP9 and quercetin. Finally, through multi-omics analysis, it was found that the expression of some key genes was closely related not only to the progression and prognosis of NSCLC but also to the level of immune infiltration.

CONCLUSION

Through comprehensive network pharmacology and multi-omics analysis, this study predicts that the core components of play a role in treating NSCLC by regulating lipid and atherosclerosis, as well as the TNF signaling pathway. Among them, the anti-NSCLC activity of isoramanone is reported for the first time.