中国医院用药评价与分析2025，Vol.25Issue(11)：1318-1324,7.DOI:10.14009/j.issn.1672-2124.2025.11.008
基于网络药理学及分子对接技术探究化浊解毒方治疗代谢综合征的作用机制
Mechanism of Huazhuo Jiedu Prescription in the Treatment of Metabolic Syndrome Based on Network Pharmacology and Molecular Docking Technology
摘要
Abstract
OBJECTIVE:To investigate the mechanism of Huazhuo Jiedu prescription in the treatment of metabolic syndrome based on network pharmacology and molecular docking technology.METHODS:The target of metabolic syndrome was obtained through GeneCards,TTD and DisGeNET databases,and the effective active components and targets of Huazhuo Jiedu prescription were obtained through traditional Chinese medicine systems pharmacology database and analysis platform(TCMSP),BATMAN-TCM and TCMBANK databases.Traditional Chinese medicine targets of Huazhuo Jiedu prescription were compared and intersected with the disease targets of metabolic syndrome.The target of Huazhuo Jiedu prescription for treating metabolic syndrome was obtained.Protein-protein interaction(PPI)network of Huazhuo Jiedu prescription on metabolic syndrome was obtained by using STRING database.Topological analysis of PPI network was carried out by Cytoscape software to obtain the core target of Huazhuo Jiedu prescription acting on metabolic syndrome.Gene ontology(GO)functional enrichment analysis and Kyoto encyclopedia of genes and genomes(KEGG)pathway enrichment analysis of key core targets were performed by using the DAVID platform.AutoDock Vina software was used to verify the molecular docking of key core targets and key active components.RESULTS:Through database analysis,77 active components and 433 potential targets of drug activity were obtained,and 100 common targets of Huazhuo Jiedu prescription in the treatment of metabolic syndrome were identified.After analyzing the network topology parameters of common targets,47 key targets were screened.Through GO and KEGG enrichment analysis,191 signaling pathways,1 679 biological processes,91 cell components and 137 molecular functions were screened to participate in the prevention and treatment of metabolic syndrome by Huazhuo Jiedu prescription.Results of molecular docking showed that the main active components of Huazhuo Jiedu prescription had good binding activity with key targets.CONCLUSIONS:Huazhuo Jiedu prescription may act through multiple pathways and multiple targets to treat metabolic syndrome,providing an important theoretical basis for its clinical application.关键词
网络药理学/分子对接/化浊解毒方/代谢综合征/作用机制Key words
Network pharmacology/Molecular docking/Huazhuo Jiedu prescription/Metabolic syndrome/Mechanism分类
医药卫生引用本文复制引用
刘亚丹,尚鑫,燕树勋,范立荣,王晓晴,王斌..基于网络药理学及分子对接技术探究化浊解毒方治疗代谢综合征的作用机制[J].中国医院用药评价与分析,2025,25(11):1318-1324,7.基金项目
国家自然科学基金面上项目(No.82474450) （No.82474450）
天津市南开区中医药传承创新发展示范试点项目-国家级重点专科建设(No.20240318) （No.20240318）
河南省中医药传承与创新人才工程(仲景工程)中医药拔尖人才(No.CZ0237-02) （仲景工程）
郑州市科技惠民计划(No.2021KJHM0017) （No.2021KJHM0017）
