中国药业2023，Vol.32Issue(23)：53-59,7.DOI:10.3969/j.issn.1006-4931.2023.23.012
基于网络药理学和分子对接技术的金卷升板胶囊治疗血小板减少症作用机制探讨
Mechanism of Jinjuan Shengban Capsules in the Treatment of Thrombocytopenia Based on Network Pharmacology and Molecular Docking
摘要
Abstract
Objective To predict the mechanism of Jinjuan Shengban Capsules in the treatment of thrombocytopenia based on network pharmacology and molecular docking.Methods The components and their targets of Jinjuan Shengban Capsules in the treatment of thrombocytopenia were screened from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP)and the GeneCards database.The component-target network was constructed by Cytoscape 3.9.1 software.The protein-protein interaction(PPI)network was established by the String database.Gene Ontology(GO)functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis were conducted by the Metascape platform.Autodock Vina software was used for molecular docking.Results A total of 88 active ingredients and 159 common targets were obtained.Key pathways included cancer pathway,advanced glycation end products-multiple-ligand receptor-advanced glycation end products(AGE-RAGE)signaling pathway in diabetes complications,lipid and atherosclerosis,etc.Quercetin,kaempferol and β-sitosterol were obtained as three important components,and TP53,AKT1 and JUN were obtained as three key targets.The minimum binding energy of molecular docking was lower than-5.0 kcal/mol.Conclusion Jinjuan Shengban Capsules may act on potential core targets such as TP53,AKT1 and JUN through key active ingredients such as quercetin,kaempferol and β-sitosterol,regulating pathways such as pathways in cancer,AGE-RAGE signaling pathway in diabetic complications and lipid and atherosclerosis,thereby playing a role in treating thrombocytopenia.关键词
金卷升板胶囊/血小板减少症/网络药理学/分子对接技术/作用机制Key words
Jinjuan Shengban Capsules/thrombocytopenia/network pharmacology/molecular docking/mechanism分类
医药卫生引用本文复制引用
杨琳,于静,杨继章,刘爱霞,张彦景,刘琰,王玲娇..基于网络药理学和分子对接技术的金卷升板胶囊治疗血小板减少症作用机制探讨[J].中国药业,2023,32(23):53-59,7.基金项目
河北中医药管理局科研计划项目[2021128]. （）
