Network pharmacology-based approach to investigate the mechanism of Huang-Lian-Jie-Du-Decoction for treatment of type 2 diabetes mellitus  

作　　者：Hui-Ling Li Chen Chen Chao Chen 

机构地区：[1]School of Traditional Chinese Medicine,Guangdong Pharmaceutical University,Guangzhou 510006,China [2]The Key Unit of Chinese Medicine Digitalization Quality Evaluation of SATCM,Guangzhou 510006,China [3]The Research Center for Quality Engineering Technology of Traditional Chinese Medicine in Guangdong Universities,Guangzhou 510006,China

出　　处：《Traditional Medicine Research》2021年第4期87-103,共17页TMR传统医学研究

基　　金：the Natural Science Foundation of Guangdong Province(No.2016A030313837).

摘　　要：Background:Although the benefits of Huang-Lian-Jie-Du-Decoction(HLJDD)on type 2 diabetes mellitus are noted,the material base and action mechanism remain unknown.This paper aim is to reveal the material base and action mechanism of HLJDD against type 2 diabetes mellitus in a system pharmacology framework.Methods:The compounds in HLJDD were first retrieved from the Traditional Chinese Medicine Systems Pharmacology database and analysis platform.Once retrieved,they were fed into the SwissTargetPrediction database to predict the interacting targets.Meanwhile,a human expression profile dataset was analyzed in the Gene Expression Omnibus database,and subsequently,the differentially expressed genes were compared to the HLJDD-related targets.We conducted a protein-protein interaction analysis,Kyoto Encyclopedia of Genes and Genomes pathway analysis,and Gene Ontology analysis to identify the potential active compounds and targets.Lastly,to verify the binding affinities of those compounds and targets,we performed molecular docking.Results:We obtained 15 key compounds,such as quercetin,epiberberine,and berberine,and 10 hub genes,such as IκB kinase-βand phosphatidylinositol 3-kinase regulatory subunit alpha.The top 10 enriched pathways were also found to be tightly related to type 2 diabetes mellitus,including insulin resistance and FoxO signaling pathway.Moreover,all the key compounds were found to bind well to the hub genes.Particularly for the target of IκB kinase-β,11 out of 15 compounds bound to it with energies of<−9.0 kcal/mol.Conclusion:In summary,15 key compounds of HLJDD may affect type 2 diabetes mellitus development by multiple genes such as IκB kinase-βand phosphatidylinositol 3-kinase regulatory subunit alpha and signaling pathways such as insulin resistance and FoxO signaling pathway.

关 键 词：Huang-Lian-Jie-Du-Decoction Type 2 diabetes mellitus Gene expression profile GEO database Network analysis Molecular docking 

分 类 号：R58[医药卫生—内分泌]