海南医科大学学报2025，Vol.31Issue(1)：51-60,10.DOI:10.13210/j.cnki.jhmu.20240927.005
基于网络药理学和分子对接及动物实验探讨毛蕊花糖苷治疗糖尿病肾脏病的作用机制
Mechanism of acteoside in treatment of diabetic kidney disease based on network pharmacology,molecular docking and animal experiments
摘要
Abstract
Objective:Based on network pharmacology,molecular docking,and animal experiments,this study aims to ex-plore the key target and potential molecular mechanism of acteoside treatment in Diabetic Kidney Disease(DKD).Methods:Po-tential target genes of acteoside were obtained from Swiss Target Prediction,GeneCards,TargetNet,SuperPred,SEA,and Pharmmapper databases;potential target genes of DKD were obtained from GeneCards,OMIM,DrugBank,and TTD databas-es.Common target genes were imported into the STRING database to obtain protein-protein interaction relationships and con-struct a protein interaction network using Cytoscape software.GO and KEGG enrichment analysis were performed using Metascape database.Molecular docking of acteoside with core target genes was performed using the CB-Dock2 website.A DKD rat model was established,and the effects of acteoside on DKD rat kidney pathology and function were observed through HE,PAS,TEM,and biochemical index detection.The impact of acteoside on the expression of inflammatory factors and key path-ways was also verified.Results:A total of 469 potential targets for acteoside and 1 073 potential targets for DKD were obtained.65 potential target genes were identified for acteoside in treating DKD,with 441 biological processes and 153 signal pathways.GO and KEGG analyses indicated that acteoside may exert its therapeutic effect on DKD by regulating the expression of inflammatory factors related to the NF-κB signaling pathway.Molecular docking results showed that acteoside could spontaneously bind to key targets such as TP53,CASP3,MMP9,STAT3,NFKB1,and PTGS2 with binding energies<-5 kJ/mol.Animal experi-ments demonstrated that compared to the DKD group,acteoside could improve rat kidney pathology,reduce blood urea nitrogen,blood creatinine,and 24 h-UPro levels(P<0.05),decrease serum levels of TNF-α,IL-6,and IL-1β(P<0.05),and reduce p-P65 protein expression(P<0.05).Conclusion:Acteoside can effectively improve renal function and kidney pathology in DKD rats,reduce levels of pro-inflammatory cytokines,and its mechanism may be related to the inhibition of the NF-κB signaling path-way.关键词
毛蕊花糖苷/糖尿病肾脏病/网络药理学/分子对接/炎症/核因子-κBKey words
Acteoside/Diabetic kidney disease/Network pharmacology/molecular docking/Inflammation/Nuclear factor-κB分类
中医学引用本文复制引用
王军伟,马桂巧,邵婧,翟新茹,董彩宙,马婵娟..基于网络药理学和分子对接及动物实验探讨毛蕊花糖苷治疗糖尿病肾脏病的作用机制[J].海南医科大学学报,2025,31(1):51-60,10.基金项目
The Natural Science Foundation of Shanxi Province(No.201901D111437) （No.201901D111437）
Fund Program for the Scientific Activities of Selected Returned Overseas Professionals in Shanxi Province(NO.20220046).山西省自然科学基金项目(201901D111437) （NO.20220046）
山西省留学人民科技活动(20220046) （20220046）
