基于網(wǎng)絡(luò)藥理學(xué)及分子對接技術(shù)分析失笑散治療消化性潰瘍作用機制

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[關(guān)鍵詞]失笑散;消化性潰瘍;網(wǎng)絡(luò)藥理學(xué);分子對接
[中圖分類號]R285.1 [文獻標志碼]A [文章編號]0256-7415(2025)11-0032-07
DOl:10.13457/j.cnki.jncm.2025.11.006
Analysis of Mechanism of Shixiao Powder in Treating Peptic Ulcer Based on Network Pharmacology and Molecular Docking Technology
ZHONG Guozhu 1,2 ,QIU Zhenwen1,RAO Qiuhongl
1.DepartmentofPharmacy,TheFirstAfliatedHospitalofGuangzouUniversityofChineseMedicine,GuangzhouGuangdong510405, China;.DepartmentofPharmacy,GuangzhouHospitalofIntegratedTraditionalandWesternMedicineAfliatedtoGuangzhouUnivesity of Chinese Medicine,Guangzhou Guangdong 5108oo,China
Abstract:Objective:To analyze the mechanism of Shixiao Powder in treating peptic ulcer using network pharmacologyand molecular docking technology.Methods:Chemical components and targets of Shixiao Powder were retrieved from TCMSP,HERB,and SwissTargetPrediction databases.Peptic ulcer-related targets were collcted from DrugBank,GeneCards,and OMIM.Common targets were identifiedvia Venn diagram,anda protein-protein interaction (PPI) network was constructed. KEGG pathway and GO functional enrichment analyses were performed via Metascape.Molecular docking validation was conducted with AutoDockTols.Results:(1)A total of 26 chemical components,459 therapeutic targets,1O05 disease targets,and127 potential targets were identified.GO and KEGG enrichment analyses revealed1831entries and182 singaling pathways,involving biologicalproceses such as positive regulation of phosphorus metabolic processs,receptor complexes,and protein kinase activity,as well as MAPK,
PI3K-Akt,and TNF signaling pathways.(2)Molecular docking demonstrated strong binding between core components(quercetin,kaempferol,isophorone,tocopheryl quinoneand pomolic acid)and key targets(TNF,IL6, AKT1,IL1B,PTGS2).Conclusion:Shixiao Powder exerts potential therapeutic effects onpeptic ulcer by alleviating inflammatory responses through multi-target and multi-pathway mechanisms.
Keywords:Shixiao Powder;Peptic ulcer;Network pharmacology;Molecular docking
消化性潰瘍包括胃潰瘍和十二指腸潰瘍,在臨床上以周期性、規(guī)律性上腹部疼痛和不適為主。(剩余8476字)