Qiong Duan, Mingxiao Wang, Zhenting Cui, Ruochen Li, Jianxin Ma
{"title":"基于网络药理学与分子对接的沙参脉冬汤治疗放射性肺炎的机制研究。","authors":"Qiong Duan, Mingxiao Wang, Zhenting Cui, Ruochen Li, Jianxin Ma","doi":"10.2174/0113816128346708241223110504","DOIUrl":null,"url":null,"abstract":"<p><strong>Background: </strong>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.</p><p><strong>Methods: </strong>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.</p><p><strong>Results: </strong>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.</p><p><strong>Conclusion: </strong>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.</p>","PeriodicalId":10845,"journal":{"name":"Current pharmaceutical design","volume":" ","pages":""},"PeriodicalIF":2.8000,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Mechanism of Shashen Maidong Decoction in the Treatment of Radiation Pneumonitis Based on Network Pharmacology and Molecular Docking.\",\"authors\":\"Qiong Duan, Mingxiao Wang, Zhenting Cui, Ruochen Li, Jianxin Ma\",\"doi\":\"10.2174/0113816128346708241223110504\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><strong>Background: </strong>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.</p><p><strong>Methods: </strong>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.</p><p><strong>Results: </strong>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.</p><p><strong>Conclusion: </strong>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.</p>\",\"PeriodicalId\":10845,\"journal\":{\"name\":\"Current pharmaceutical design\",\"volume\":\" \",\"pages\":\"\"},\"PeriodicalIF\":2.8000,\"publicationDate\":\"2025-06-25\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Current pharmaceutical design\",\"FirstCategoryId\":\"3\",\"ListUrlMain\":\"https://doi.org/10.2174/0113816128346708241223110504\",\"RegionNum\":4,\"RegionCategory\":\"医学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"PHARMACOLOGY & PHARMACY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Current pharmaceutical design","FirstCategoryId":"3","ListUrlMain":"https://doi.org/10.2174/0113816128346708241223110504","RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"PHARMACOLOGY & PHARMACY","Score":null,"Total":0}
Mechanism of Shashen Maidong Decoction in the Treatment of Radiation Pneumonitis Based on Network Pharmacology and Molecular Docking.
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.
期刊介绍：
Current Pharmaceutical Design publishes timely in-depth reviews and research articles from leading pharmaceutical researchers in the field, covering all aspects of current research in rational drug design. Each issue is devoted to a single major therapeutic area guest edited by an acknowledged authority in the field.
Each thematic issue of Current Pharmaceutical Design covers all subject areas of major importance to modern drug design including: medicinal chemistry, pharmacology, drug targets and disease mechanism.
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