中医药导报2025，Vol.31Issue(6)：42-48,7.DOI:10.13862/j.cn43-1446/r.2025.06.008
基于整合药理学分子对接及实验验证探讨化瘀解毒方调控PPARγ/NF-κB信号通路治疗肺癌的作用机制
Investigation of the Mechanism of Huayu Xietu Formula(化瘀解毒方)in Regulating PPARγ/NF-κB Signaling Pathway for Lung Cancer Based on Molecular Docking of Integrative Pharmacology and Experimental Validation
摘要
Abstract
Objective:To predict the potential targets and mechanisms of action of Huayu Jiedu formula for the treatment of lung cancer with network pharmacology and molecular docking techniques,and to validate the findings through animal experiments.Methods:Potential action targets of the Huayu Jiedu formula and lung cancer-related disease targets were screened using the TCMIP database and GeneCards,OMIM,and TTD databases,respectively.The intersection targets between drugs and diseases were obtained with the Venny 2.1 visualization platform.The String database and Cytoscape 3.7.2 software were used to construct a protein-protein interaction network and screen for key targets,and the"Chinese medicine-component-core target"association network was constructed.The DAVID database was used to perform gene ontology(GO)functional enrichment and Kyoto encyclopedia of genes and genomes(KEGG)pathway enrichment analysis on key intersection targets.Autodock Vina software was used for molecular docking validation of important proteins and molecules.Tumor mass was analyzed in each group of mice.Enzyme-linked immunosorbent assay(ELISA)was used to detect serum levels of IL-6 and IFN-γ.The pathological morphology of tumor tissues,lungs,livers,and kidneys were observed with HE staining.The expression of PPARγ,VEGF,NF-κB,PCNA and Caspase-3 in tumor tissues were detected via immunohistochemistry.Results:The main active components of Huayu Jiedu formula for treating lung cancer include stigmasterol,eugenol,sitosterol,palmitic acid,etc.involving targets such as STAT3,PPARG,AKT1,NFKB1,IL6,and signaling pathways such as metabolic pathways,PPAR signaling pathways,and cAMP signaling pathway.Animal experiment results showed that the Huayu Jiedu formula could significantly inhibit tumor growth,downregulate IL-6 levels in rat serum,and upregulate IFN-γ levels,with no significant hepatotoxicity or nephrotoxicity.Conclusion:Huayu Jiedu formula can increase the expression of PPARγ and Caspase-3,inhibit the expression of VEGF,NF-κB,and PCNA,promote apoptosis in A549 lung cancer cells,and inhibit tumor cell proliferation and vascular growth.Its mechanism of action may be related to the regulation of the PPARγ/NF-κB signaling pathway.关键词
肺癌/化瘀解毒方/网络药理学/PPARγ/NF-κB/小鼠Key words
lung cancer/Huayu Jiedu formula/network pharmacology/PPARγ/NF-κB/mouse分类
医药卫生引用本文复制引用
毋奥淳,蔡小平,魏征,张俊萍,巨佳..基于整合药理学分子对接及实验验证探讨化瘀解毒方调控PPARγ/NF-κB信号通路治疗肺癌的作用机制[J].中医药导报,2025,31(6):42-48,7.基金项目
国家自然科学基金项目(82305349) （82305349）
河南省中医药科学研究专项课题(2024ZY2125) （2024ZY2125）
河南省中医管理局拔尖人才项目(2022ZYBJ27) （2022ZYBJ27）
国家中医药管理局第七批全国老中医药专家学术经验继承工作项目(国中医药人教函[2022]76号) （国中医药人教函[2022]76号）
