基于网络药理学和分子对接技术探讨益肾排毒颗粒治疗慢性肾脏病的作用机制
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中图分类号：R692 文献标志码：A DOI：10.3969/j.issn.1003-1383.2026.02.002
Exploration on the mechanism of action of Yishen Paidu Granules in the treatment of chronic kidney disease based on network pharmacology and molecular docking technology
WU Yujuan’， WANG Lin’， PAN Liyue'， WANG Xiaoyong²， ZHONG Jian 1∙ （20 （1.Department of Nephrology， the First Affiliated Hospital of Guangxi University of Chinese Medicine，Nanning 53oooo，Guangxi， China； 2. Department of Endocrinology and Geriatrics， Nanning Hospital of Traditional Chinese Medicine，Nanning 53oooo，Guangxi，China）
【Abstract】ObjectiveTo elucidate the molecular mechanismof Yishen Paidu Granules inthetreatment of chronic kidney disease（CKD）by network pharmacologyand molecular docking approaches.MethodsThe efective chemical components of YishenPaidu Granuleswereretrievedandconstructed through TCMSP，HERB，etc，andtherelevanttarget informationof CKD was obtaied using GeneCards，OMIM，DisGeNET，etc.A "component-disease-target" network was constructed using Cytoscapesoftware，and key activeingredientsandcore therapeutictargets were screened.Bioinformaticsanalysis wasperformed withR software，andmoleculardocking was employedtoverifythe binding afinitybetweencoretargetsand keycomponents. ResultsA totalof82activeingredients were screened（among which 8Ocouldactontheintersecting targets ofCKD），215intersectingtargetswerefiallybined，and5keyingedients（querctinaempferol，uteolin，wogonn，7-O-methlso cronulatol）and 12 core targets（TP53，AKT1，HIF1A，CASP3，JUN，FOS，IL6，IL1B，EGFR，TNF，MMP9，STAT1） were identified.Theintersectiontargets were significantlyenrichedin 2982GOentriesand194 KEGG pathways，mainlyincluded PI3K-AKT，IL-17，TNF，MAPK，AGE-RAGE，p53and other signaling pathways.Molecular docking resultsshowed that binding affinity（binding energy ⩽ -5 kcal/mol）between the five key components and the 12 core targets was relatively stable，with the baicalein FOS group having the best binding affinity（binding energy ⩽ -9.5 kcal/mol）. ConclusionYishen PaiduGranules mayimproverenalfunctionthrough multi-componentandmulti-target mechanisms.Futurestudiesshould furthervalidatethesehypothesesanddeplyexplore thesynergisticefectsamongvariousactiveingredients in YishenPaidu Granules and their specific mechanisms of action.
【Keywords】 network pharmacology；molecular docking；Yishen Paidu Granules；chronic kidney disease（CKD）
慢性肾脏病（chronickidneydisease，CKD）的发病率和患病率不断升高，严重危害人类的健康[1-2]第六次中国慢性病和危险因素监测结果显示[3]，我国CKD患病率约为 8.2% ，加权估计全国约有8200万成年人患有 CKD 。（剩余15262字）
