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2000
Volume 21, Issue 3
  • ISSN: 1573-4099
  • E-ISSN: 1875-6697

Abstract

Introduction

Non-small cell lung cancer (NSCLC) is the most common type of lung cancer. Traditional Chinese medicine, known for its multi-target and multi-pathway characteristics, offers a potential treatment approach for NSCLC.

Objective

This study aimed to explore the mechanism of the competitive endogenous network of ' D.Don--' in treating NSCLC through bioinformatics analysis and experiments.

Materials and Methods

Various databases and ceRNA networks were utilized to collect and screen components and target genes, molecular docking and molecular dynamics simulations to determine the binding ability of ligand-receptor complexes. experiments were conducted to validate the effects of active ingredients of ' D.Don--' on non-small cell lung cancer cell line A549.

Results

The key target proteins CCL2, EDN1, MMP9, PPARG, and SPP1 were docked well with their corresponding TCM ligands. Among the ligand-receptor complexes, MMP9-Luteolin and MMP9-Quercetin demonstrated the weaking binding force, while the SPP1-Quercetin complex, associated with NSCLC prognosis, exhibited stable structure formation through hydrogen bond interaction during MD simulation. experiments confirmed the inhibitory effect of Quercetin on SPP1 expression, as well as the proliferation and migration of A549 cells.

Conclusion

The findings suggest that ' D.Don--' may potentially treat lung cancer by suppressing the expression of SPP1. This study provides valuable insights and novel research directions for understanding the mechanism of traditional Chinese medicine in combating lung cancer.

© 2025 Bentham Science Publishers
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/content/journals/cad/10.2174/0115734099288771240419110716
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Study on the Mechanism of Competing Endogenous Network of 'Scutellaria barbata D.Don-Houttuynia cordata- Radix Scutellariae' in the Treatment of NSCLC based on Bioinformatics, Molecular Dynamics and Experimental Verification
Curr. Computeraided Drug Des. 21, 403 (2025); https://doi.org/10.2174/0115734099288771240419110716
/content/journals/cad/10.2174/0115734099288771240419110716
/content/journals/cad/10.2174/0115734099288771240419110716
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  • Article Type:     Research Article
Keyword(s): bioinformatics; competitive endogenous networks; D.Don-Houttuynia cordata-Radix Scutellariae; molecular dynamics; secreted phosphoprotein 1; Traditional chinese medicine

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