摘要
目的运用网络药理学及分子对接模拟法,探索中药蚕茧治疗结肠癌的可能作用机制。方法检索相关文献,得到蚕茧中的主要化学成分,筛选出药物有效成分并预测其作用靶点,构建蚕茧成分-靶点网络图。通过检索得到结肠癌疾病靶点,进行蛋白互作网络(PPI)分析,筛选出药物-疾病交集靶点,作交集靶点基因图。行基因本体论(GO)分析和京都基因与基因组百科全书(KEGG)通路富集分析,作相关图行可视化处理。最后对关键化合物和基因进行分子对接模拟,得到其对接结合能。结果本研究共得到蚕茧药物成分18种,预测靶点128个;结肠癌相关靶点1453个,药物-疾病共同靶点19个。通过PPI分析,得出7个关键作用靶点基因。分子对接结果提示,关键化合物和靶点基因具有良好亲和力。结论蚕茧治疗结肠癌可通过多靶点、多通路发挥作用。
Objective To explore the possible mechanism of silkworm cocoon therapy for colon cancer using network pharmacology and molecular docking simulation methods.Methods The main chemical components in cocoon were obtained by searching the rel-evant literature,and the active components were screened and the target sites were predicted.The network diagram of cocoon composi-tion and target sites was constructed.The target of colon cancer disease was retrieved,and the protein interaction network(PPI)analy-sis was performed to screen out the drug-disease intersection target and make the intersection target gene map.Line gene ontology(GO)analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis were performed to visualize line correlation.Finally,the binding energy of key compounds and genes was obtained by molecular docking simulation.Results In this study,a total of 18 medicinal components of silkworm cocoons were obtained,and 128 target points were predicted,and 1453 colon cancer related targets and 19 drug disease common targets.Through PPI analysis,7 key target genes were identified.The molecular docking results indicate that key compounds and target genes have good affinity.Conclusion Cocoon therapy for colon cancer can ex-ert its effects through multiple targets and pathways.
作者
赵玉鑫
李冬琳
姜川
管忠安
ZHAO Yuxin;LI Donglin;JIANG Chuan;GUAN Zhongan(The First Clinical Medical College,Shandong University of Traditional Chinese Medicine,Shandong Province,Jinan 250000,China;Department of Proctology,Affiliated Hospital of Shandong University of Traditional Chinese Medicine,Shandong Province,Jinan 250000,China)
出处
《中国中医药现代远程教育》
2024年第17期165-168,共4页
Chinese Medicine Modern Distance Education of China
基金
齐鲁中医药优势专科集群项目【No.YWC2022ZKJQ0003】。
关键词
结肠癌
蚕茧
网络药理学
分子对接
colon cancer
silkworm cocoon
network pharmacology
molecular docking
