Mechanism and Theoretical Discussion of Qingzao Jiufei Decoction in Treating Non-Small Cell Lung Cancer Based on Network Pharmacology and Molecular Docking Analysis

Corresponding author: MaKe, duanjiyou0429@163.com

DOI: 10.12201/bmr.202610.00065

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  Abstract: Objective: To investigate the relevant mechanisms of the classical formula Qingzao Jiufei Decoction in the treatment of non-small cell lung cancer (NSCLC) under the guidance of the “clearing dryness and resolving accumulation” theory through network pharmacology analysis combined with molecular docking technology. Methods: The active ingredients of Qingzao Jiufei Decoction were retrieved from the TCMSP and HERB databases, and their potential targets were predicted using Swiss Target Prediction. NSCLC disease targets were obtained from GeneCards, OMIM, TTD, and other databases. The intersection of the two target sets was taken to construct a “formula–ingredient–target” network and a protein-protein interaction (PPI) network, and key targets were screened. GO and KEGG pathway enrichment analyses were performed using the DAVID database. Molecular docking verification between key active ingredients and core targets was carried out using AutoDock Vina. Results: A total of 169 active ingredients, 1033 potential targets, 1346 NSCLC disease targets, and 164 common targets were identified. Key active ingredients included glabridin, quercetin, kaempferol, isorhamnetin, β-sitosterol, and others. Core targets mainly included TP53, EGFR, STAT3, AKT1, SRC, and BCL2. GO enrichment was associated with the regulation of cell proliferation and apoptosis, angiogenesis, inflammatory response, and related processes. KEGG pathways were mainly enriched in the PI3K-Akt, MAPK, EGFR tyrosine kinase inhibitor resistance, and non-small cell lung cancer signaling pathways. Molecular docking showed that the key ingredients bound stably to the core targets, especially EGFR and AKT1. Conclusion: Qingzao Jiufei Decoction may act through “multi-component, multi-target, multi-pathway” synergistic regulation of key signaling pathways such as PI3K-Akt, thereby inhibiting tumor cell proliferation, inducing apoptosis, improving the tumor microenvironment, and ultimately exerting therapeutic effects against NSCLC.

  Key words: Qingzao Jiufei Decoction; Non-Small Cell Lung Cancer; Network Pharmacology Analysis; Molecular Docking Verification; Theoretical Discussion

  Submit time: 28 October 2026

  Copyright: The copyright holder for this preprint is the author/funder, who has granted biomedRxiv a license to display the preprint in perpetuity.
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