Mechanism of Shashen Maidong Decoction in the Treatment of Radiation Pneumonitis Based on Network Pharmacology and Molecular Docking

Qiong Duan; Mingxiao Wang; Zhenting Cui; Ruochen Li; Jianxin Ma

doi:10.2174/0113816128346708241223110504

Mechanism of Shashen Maidong Decoction in the Treatment of Radiation Pneumonitis Based on Network Pharmacology and Molecular Docking

Curr Pharm Des. 2025 Jun 25. doi: 10.2174/0113816128346708241223110504. Online ahead of print.

Authors

Qiong Duan¹, Mingxiao Wang², Zhenting Cui¹, Ruochen Li², Jianxin Ma¹

Affiliations

¹ Oncology Department, The Affiliated Lianyungang Municipal Oriental Hospital of Xuzhou Medical University, Lianyungang, China.
² Respiratory Department, The Second Hospital of Guizhou University of Traditional Chinese Medicine, Guiyang, China.

PMID: 40574364
DOI: 10.2174/0113816128346708241223110504

Abstract

Background: Radiation therapy is a crucial method used to treat various tumors, but it can lead to radiation pneumonitis. Shashen Maidong Decoction (SMD) is clinically used to treat radiation pneumonitis, but the exact mechanism remains unclear.

Methods: Herbal components and targets of SMD were obtained from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP), the Encyclopedia of Traditional Chinese Medicine (ETCM), and Swiss Target Prediction platforms. Moreover, disease-related targets were retrieved from the GeneCards database. A Protein-protein Interaction (PPI) network was constructed using the STRING database and analyzed using the Cytoscape software. In addition, Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses were performed using the DAVID database. Subsequently, the disease-active component-target network and drug-pathway-target network were constructed using Cytoscape. The molecular docking results were validated and visualized using Auto Dock and PyMOL software.

Results: In this study, 115 conserved active ingredients, 316 drug targets, and 355 radiation pneumonitis targets were identified. Among these, 75 targets were identified as intersecting targets. GO enrichment analysis revealed 494 biological processes, 36 cell components, and 59 molecular functions. KEGG analysis uncovered 118 signaling pathways, including the IL-17 signaling pathway, TNF signaling pathway, HIF-1 signaling pathway, etc. The molecular docking results showed the core active ingredients of SMD, including quercetin, kaempferol, beta-carotene, and naringenin, to have strong binding ability with the core targets.

Conclusion: This study preliminarily confirmed that SMD may act on the TNF, IL-17, and HIF-1 signaling pathways to exert its therapeutic effects on radiation pneumonitis by regulating the expression of inflammatory factors.

Keywords: Shashen Maidong decoction; network pharmacology; radiation pneumonitis; signaling pathways..