An integrated analysis of network pharmacology and GEO database to decode the active component and the underlying mechanism of Yiwei decoction in non-small cell lung cancer.

Abstract

Treating non‑small‑cell lung cancer (NSCLC) is challenging and demands therapies with minimal side effects to enhance patient quality of life. Yiwei Decoction (YWD) shows potential for NSCLC treatment,but further research is necessary for full comprehension about active compounds, molecular targets, and mechanisms. Using TCMSP and BATMAN‑TCM, the study identified YWD's active components and targets, and analyzed NSCLC differential genes from the GEO database.NSCLC targets from GeneCard, NCBI, and DisGeNET were combined with differential genes to identify component targets. A PPI network showed overlapping targets, while GO and KEGG analyses assessed relevant pathways. Molecular docking validated the connection between the main compound and core target in the "active ingredient‑target‑pathway" network. The study identified 193 targets for 20 active YWD components and 197 NSCLC‑related targets, with 14 overlaps.GO analysis revealed that YWD affects 146 biological processes, including cell proliferation and protein kinase binding. KEGG analysis identified 58 pathways related to inflammation, cell survival, and cancer, clarifying YWD's role in NSCLC treatment. Network analysis and molecular docking indicated that n‑coumaroyltyramine and quercetin effectively bind to CCND1 and EGFR, underscoring their therapeutic contributions. The study suggests that YWD may target CCND1, EGFR, and TP53, impacting HIF‑1, JAK‑STAT, and other stress‑related pathways in NSCLC.