中国中医药图书情报杂志2024，Vol.48Issue(1)：83-90,8.DOI:10.3969/j.issn.2095-5707.202304138
基于网络药理学与分子对接探讨山茱萸-菟丝子治疗认知障碍的作用机制
Exploring on the Mechanism of Corni Fructus-Cuscutae Semen on Cognitive Impairment Based on Network Pharmacology and Molecular Docking
摘要
Abstract
Objective To explore the potential mechanism of Corni Fructus-Cuscutae Semen in the treatment of cognitive impairment using network pharmacology and molecular docking technique.Methods The active components of Corni Fructus and Cuscutae Semen were obtained from TCMSP database,and the potential targets were predicted.The targets of drug components were obtained from the UniProt database.The targets of cognitive impairment were obtained from TTD,GeneCards,OMIM databases,and the common targets of the medicinal pair and cognitive impairment were analyzed with R 4.2.2 software.Cytoscape 3.7.2 software was used to construct a network of"drug-active components-target".The protein-protein interaction network of common target was constructed through STRING 11.5 database,perform GO and KEGG pathway enrichment analysis using R 4.2.2 software.The molecular docking analyses were performed using AutoDock 1.5.6 and PyMoL 2.4.0 software.Results A total of 30 drug active components and 184 drug-disease intersection genes were obtained after screening.Totally 2 678 GO items and 179 signaling pathways were obtained through GO and KEGG enrichment analysis.Pathway enrichment analysis of common targets showed that they were mainly related to PI3K-Akt and HIF-1α/VEGF signaling pathways.The results of molecular docking showed that the core target of cognitive impairment had good affinity with the main components of Corni Fructus-Cuscutae Semen,which maybe bind freely and effectively.Conclusion Quercetin,kaempferol,β-sitosterol,isorhamnetin,stigosterol,tetrahydroalstonine and other components in the Corni Fructus-Cuscutae Semen maybe play a role in the treatment of cognitive impairment through anti-oxidative stress,anti-inflammation,immune regulation,glucose and lipid regulation.关键词
认知障碍/山茱萸/菟丝子/补肾填髓/网络药理学/分子对接Key words
cognitive impairment/Corni Fructus/Cuscutae Semen/tonifying kidney and nourishing marrow/network pharmacology/molecular docking分类
医药卫生引用本文复制引用
徐洁,陈竞纬..基于网络药理学与分子对接探讨山茱萸-菟丝子治疗认知障碍的作用机制[J].中国中医药图书情报杂志,2024,48(1):83-90,8.基金项目
苏州市临床重点病种诊疗技术专项(LCZX202015) （LCZX202015）
苏州市科技发展计划(SYSD2020210、SKYD2022038、SKYXD2022057) （SYSD2020210、SKYD2022038、SKYXD2022057）
江苏省卫生健康委员会高层次卫生人才"六个一工程"拔尖人才项目(LGY2019012) （LGY2019012）
第五批姑苏卫生人才培养项目(GSWS2019022) （GSWS2019022）
全国中医学术流派传承工作室建设项目-吴门医派杂病流派传承工作室(201962) （201962）
