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Peer-reviewedCC BY 4.0Frontiers in Oncology

Exploring the potential mechanisms of Pei Yuan Yi Fei decoction for non-small cell lung cancer through network pharmacology and experimental validation

  • Yingjia Zhou1
  • Jia Wu1
  • Mei Li1
  • Xiaowei Jin1
  • Shan Liu1
  • Jian Yang2
  • Hongmei Shen1
  • Fan Li2
  1. 1The Third Affiliated Hospital of Kunming Medical University, Yunnan Cancer Hospital, Peking University Cancer Hospital Yunnan, Integrated Traditional Chinese and Western Medicine Department, Xishan District
  2. 2Kunming Medical University, Chenggong District
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Abstract

Objective: Although Pei Yuan Yi Fei Decoction (PYYFD) has been shown to be effective in treating NSCLC, the underlying mechanisms are not fully understood. This study aims to explore the possible molecular mechanisms underlying the therapeutic effects of PYYFD in NSCLC.

Methods: Active compounds and their target genes were obtained from the TCMSP, GeneCards, and OMIM databases, and the intersecting genes of these genes were identified using a Venn diagram. Differentially expressed genes (DEGs) were identified from the transcriptomic dataset. Subsequently, the intersecting genes were intersected with the DEGs to identify candidate therapeutic targets. Based on the candidate therapeutic targets, univariate Cox regression and LASSO-Cox analyses were performed to evaluate their prognostic value. A prognostic risk model and nomogram were constructed and externally validated in GSE31210 and GSE42127. Single-cell RNA sequencing (scRNA-seq) was used to characterize the cell-type-specific expression patterns of these prognostic genes. Molecular docking was performed to assess potential compound-target interactions. RT-qPCR and western blotting were used to assess prognostic gene expression in PYYFD-treated PC-9 cells, while CCK-8 assays evaluated cell viability.

Results: We identified 95 candidate therapeutic targets. LASSO analysis identified eight prognostic genes: CDC25C, GSTM2, BIRC5, EPHB2, NUF2, COL1A1, ADH1C and ACHE. This prognostic model demonstrated certain predictive capability in both internal and external cohorts (AUC > 0.6). scRNA-seq analysis showed that COL1A1 was specifically and highly expressed in fibroblasts. Molecular docking analysis suggested a computationally predicted potential interaction between COL1A1 and quercetin, with a predicted binding energy of approximately -9 kcal/mol. RT-qPCR and WB results showed that, after PYYFD treatment, the expression levels of all prognostic genes were significantly changed. CCK-8 results showed that PYYFD significantly reduced the viability of PC-9 cells.

Conclusions: A total of 95 candidate therapeutic targets were identified in this study. Furthermore, eight prognostic genes (CDC25C, GSTM2, BIRC5, EPHB2, NUF2, COL1A1, ADH1C, and ACHE) were identified from the candidate therapeutic targets.

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Cite

BibTeXRIS
BibTeX
@article{zhou2026exploring,
  title = {{Exploring the potential mechanisms of Pei Yuan Yi Fei decoction for non-small cell lung cancer through network pharmacology and experimental validation}},
  author = {Yingjia Zhou and Jia Wu and Mei Li and Xiaowei Jin and Shan Liu and Jian Yang and Hongmei Shen and Fan Li},
  journal = {Frontiers in Oncology},
  year = {2026},
  month = oct,
  doi = {10.3389/fonc.2026.1938084},
  url = {https://www.frontiersin.org/articles/10.3389/fonc.2026.1938084/full},
  note = {CC BY 4.0},
}
RIS
TY  - JOUR
TI  - Exploring the potential mechanisms of Pei Yuan Yi Fei decoction for non-small cell lung cancer through network pharmacology and experimental validation
AU  - Yingjia Zhou
AU  - Jia Wu
AU  - Mei Li
AU  - Xiaowei Jin
AU  - Shan Liu
AU  - Jian Yang
AU  - Hongmei Shen
AU  - Fan Li
PY  - 2026
DA  - 2026/10/19
JO  - Frontiers in Oncology
DO  - 10.3389/fonc.2026.1938084
UR  - https://www.frontiersin.org/articles/10.3389/fonc.2026.1938084/full
AB  - Objective: Although Pei Yuan Yi Fei Decoction (PYYFD) has been shown to be effective in treating NSCLC, the underlying mechanisms are not fully understood. This study aims to explore the possible molecular mechanisms underlying the therapeutic effects of PYYFD in NSCLC.  Methods: Active compounds and their target genes were obtained from the TCMSP, GeneCards, and OMIM databases, and the intersecting genes of these genes were identified using a Venn diagram. Differentially expressed genes (DEGs) were identified from the transcriptomic dataset. Subsequently, the intersecting genes were intersected with the DEGs to identify candidate therapeutic targets. Based on the candidate therapeutic targets, univariate Cox regression and LASSO-Cox analyses were performed to evaluate their prognostic value. A prognostic risk model and nomogram were constructed and externally validated in GSE31210 and GSE42127. Single-cell RNA sequencing (scRNA-seq) was used to characterize the cell-type-specific expression patterns of these prognostic genes. Molecular docking was performed to assess potential compound-target interactions. RT-qPCR and western blotting were used to assess prognostic gene expression in PYYFD-treated PC-9 cells, while CCK-8 assays evaluated cell viability.  Results: We identified 95 candidate therapeutic targets. LASSO analysis identified eight prognostic genes: CDC25C, GSTM2, BIRC5, EPHB2, NUF2, COL1A1, ADH1C and ACHE. This prognostic model demonstrated certain predictive capability in both internal and external cohorts (AUC > 0.6). scRNA-seq analysis showed that COL1A1 was specifically and highly expressed in fibroblasts. Molecular docking analysis suggested a computationally predicted potential interaction between COL1A1 and quercetin, with a predicted binding energy of approximately -9 kcal/mol. RT-qPCR and WB results showed that, after PYYFD treatment, the expression levels of all prognostic genes were significantly changed. CCK-8 results showed that PYYFD significantly reduced the viability of PC-9 cells.  Conclusions: A total of 95 candidate therapeutic targets were identified in this study. Furthermore, eight prognostic genes (CDC25C, GSTM2, BIRC5, EPHB2, NUF2, COL1A1, ADH1C, and ACHE) were identified from the candidate therapeutic targets.
SN  - 2234-943X
ER  -