四川中医2025，Vol.43Issue(2)：82-91,10.
基于网络药理学、分子对接技术和实验验证的"厚朴-枳实-大黄"治疗糖尿病的作用机制研究
Mechanism of"Cortex Magnoliae Officinalis,Fructus Aurantii Immaturus and Radix et Rhizoma Rhei"in treating diabetes based on network pharmacology,molecular docking and experimental validation
摘要
Abstract
Objective:This study aims to investigate the therapeutic mechanisms of action of Cortex Magnoliae Officinalis,Fructus Aurantii Immaturus and Radix et Rhizoma Rhei in the prevention and treatment of diabetes by using network pharmacolo-gy,molecular docking and in vitro experiment.Methods:TCMSP platform was employed to obtain the chemical compounds,and corresponding targets of Cortex Magnoliae Officinalis-Fructus Aurantii Immaturus-Radix et Rhizoma Rhei,while the diabetes-re-lated disease genes were extracted from the Human Gene Database(GeneCards).The drug target genes and disease-related genes are mapped and intersected,and the potential targets for preventing and treating diabetes are obtained.Then,the online tools were used for gene ontology(GO)analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analy-sis,and the protein-protein interaction network(PPI)was obtained,and its potential signal pathway for treating diabetes was excavated.The compound-target-signal pathway network of traditional Chinese medicine was constructed by Cytoscape software,so as to further explore the potential chemical components and core targets of drugs in treating diabetes.AutoDock Vina and other software were used to further confirm the binding ability of potential active ingredients with core targets.DPPH free radical scaven-ging experiment was used to evaluate the anti-oxidative stress effect of Magnolia officinalis and Rhubarb,and LPS-induced mac-rophage inflammation model was used to detect its anti-inflammatory effect.Results:The effective components of Cortex Magnoli-ae Officinalis,Fructus Aurantii Immaturus,Radix et Rhizoma Rhei in the treatment of diabetes included 10,2,19 with 61,23,118 corresponding targets,respectively.GO analysis showed that the potential genes targeted by these compounds for treating diabetes were mainly involved in signal transduction,regulation of phosphorylation,regulation of protein phosphorylation,re-sponse to lipopolysaccharide,response to oxidative stress,etc.KEGG pathway enrichment analysis suggested that the pathways involved mainly included PI3K-Akt signaling pathway,TNF signaling pathway,p53signaling pathway,insulin resistance,MAPK signaling pathway,type II diabetes mellitus,NF-kappa B signaling pathway,etc.The results of in vitro experiment indi-cated that this formula possessed antioxidant effect,and significantly prevented the release of inflammatory factors.Conclusion:Network pharmacology results suggests that the herbal formula of Cortex Magnoliae Officinalis,Fructus Aurantii Immaturus,Ra-dix et Rhizoma Rhei shows great potential for the treatment of diabetes mellitus via multi-components,multi-targets and multi-pathways.Multiple signal pathways,such as oxidative stress and inflammatory response related signal pathways are involved in the treatment of diabetes mellitus by this formula.关键词
厚朴/枳实/大黄/糖尿病/作用机制/网络药理学Key words
Cortex Magnoliae Officinalis/Fructus Aurantii Immaturus/Radix et Rhizoma Rhei/Diabetes mellitus/Mecha-nism of action/Network pharmacology分类
医药卫生引用本文复制引用
陈登科,金恩佑,江国安,贺恰仁,马丽,杨乐乐,张俊..基于网络药理学、分子对接技术和实验验证的"厚朴-枳实-大黄"治疗糖尿病的作用机制研究[J].四川中医,2025,43(2):82-91,10.基金项目
国家自然科学基金项目(编号:82204588). （编号:82204588）
