中国中医药图书情报杂志2025，Vol.49Issue(3)：44-49,6.DOI:10.3969/j.issn.2095-5707.202410060
基于网络药理学和分子对接技术探究六味地黄丸治疗帕金森病作用机制
Exploration on Mechanism of Liuwei Dihuang Pills in the Treatment of Parkinson Disease Based on Network Pharmacology and Molecular Docking
摘要
Abstract
Objective To explore the mechanism of Liuwei Dihuang Pills in the treatment of Parkinson disease(PD)using network pharmacology and molecular docking.Methods TCMSP and HERB databases were used to screen active components of Liuwei Dihuang Pills.Drug-related targets were predicted through SwissTargetPrediction platform.Disease-related targets were obtained from GeneCards,OMIM and TTD databases.Drug-related targets and disease-related targets were intersected to obtain intersection targets.A drug-active component target network was constructed using Cytoscape 3.8.0 software.An intersection target protein interaction network was constructed using STRING database to obtain core targets.GO functional analysis and KEGG pathway enrichment analysis were performed through the DAVID platform.Schrödinger software was used to perform molecular docking between the main active components and the core targets.Results A total of 95 active components were obtained from Liuwei Dihuang pills,704 action targets,693 disease targets,and 138 intersecting targets,among which the core targets were AKT1,ALB,TNF,CASP3 and SRC.GO functional analysis indicated that intersection targets were mainly involved in positive regulation of ERK1 and ERK2 cascade,positive regulation of MAPK cascade.KEGG pathway enrichment analysis revealed that intersection targets were mainly involved in lipid and atherosclerosis.Molecular docking results confirmed the robust binding between main active components,including palmitoleic acid,stigmasterol,(-)-denudatin B,cheilanthifoline,batatasin Ⅳ with core targets.Conclusion Liuwei Dihuang Pills can produce its effects of anti-neuroinflammation,antioxidant and anti-apoptosis through palmitoleic acid,stigmasterol,(-)-denudatin B,cheilanthifoline and batatasin Ⅳ mediating targets,such as AKT1,ALB,TNF,CASP3 and SRC,regulating ERK/MAPK pathway,lipid and atherosclerosis pathway,thus relieving symptoms of PD.关键词
六味地黄丸/帕金森病/网络药理学/分子对接/ERK/MAPK信号通路/脂质和动脉粥样硬化通路Key words
Liuwei Dihuang Pills/Parkinson disease/network pharmacology/molecular docking/ERK/MAPK signaling pathway/lipid and atherosclerosis pathway分类
医药卫生引用本文复制引用
刘海鹏,宋玮娟..基于网络药理学和分子对接技术探究六味地黄丸治疗帕金森病作用机制[J].中国中医药图书情报杂志,2025,49(3):44-49,6.基金项目
河南省科技攻关计划项目(232102310493) （232102310493）
