山西中医药大学学报2025，Vol.26Issue(12)：1334-1343,10.DOI:10.19763/j.cnki.2096-7403.2025.12.06
基于网络药理学和分子对接技术探讨交泰丸"异病同治"2型糖尿病及代谢功能障碍相关脂肪肝病的作用机制
Exploration of the mechanism of Jiaotai Pill for treating different diseases simultaneously in type 2 diabetes mellitus and metabolic dysfunction-associated fatty liver disease based on network pharmacology and molecular docking technology
摘要
Abstract
Objective:To investigate the mechanism of Jiaotai Pill in treating both type 2 diabetes mellitus(T2DM)and metabolic dysfunction-associated fatty liver disease(MAFLD)based on the principle of"treating different diseases with the same method"using network pharmacology and molecular docking technology.Methods:Active ingredients and tar-gets of Huanglian and Rougui in Jiaotai Pill were screened and obtained from the TCMSP and BATMAN-TCM databases.Common disease targets of T2DM and MAFLD were retrieved from GeneCards,OMIM and DrugBank databases.The protein-protein interaction(PPI)network was constructed using STRING and Cytoscape 3.10.3.Target genes were screened,and GO function and KEGG pathway enrichment analysis were performed.A"drug-active ingredient-target"network was estab-lished,and molecular docking was used to validate the binding affinity between core active ingredients and key targets.Results:Network pharmacology analysis identified 31 active ingredients,including quercetin,styrene,cinnamic acid and ethyl cinnamate.A total of 375 drug targets and 3,279 disease targets were obtained,with 102 intersection targets,including 27 core targets such as Akt1,TNF,TP53 and IL-1β.Enrichment analysis obtained 768 GO functional enrichment results,of which 570 were related to biological processes,64 were related to cellular components and 134 were related to molecular functions.A total of 159 KEGG pathways were obtained.Enrichment analysis showed that the"treating different diseases with the same method"of Jiaotai Pill mainly involved AGE-RAGE signaling pathway in diabetic complications,fluid shear stress and atherosclerosis,pathway in cancer,lipids and atherosclerosis,etc.Molecular docking results showed that the core active ingredients of Jiaotai Pill combined well with the core targets.Conclusion:Jiaotai Pill exerts its"treating different diseases with the same method"effect on T2DM and MAFLD by regulating targets such as Akt1,TNF and TP53 through active ingre-dients like quercetin,styrene and cinnamic acid,and by modulating pathways including the AGE-RAGE signaling pathway in diabetic complications,fluid shear stress and atherosclerosis.关键词
2型糖尿病/代谢相关性脂肪性肝病/交泰丸/网络药理学/分子对接Key words
T2DM/MAFLD/Jiaotai Pill/network pharmacology/molecular docking分类
医药卫生引用本文复制引用
王郡华,李美美,胡海英,李居一..基于网络药理学和分子对接技术探讨交泰丸"异病同治"2型糖尿病及代谢功能障碍相关脂肪肝病的作用机制[J].山西中医药大学学报,2025,26(12):1334-1343,10.基金项目
国家自然科学基金项目(82274468) （82274468）
安徽省高校科学研究项目-重大项目(2023AH040103) （2023AH040103）
安徽中医药大学临床科研项目(2021yfylc49) （2021yfylc49）
