基于网络药理学和分子对接探讨五鹤续断防治阿尔茨海默病的作用机制  被引量:2

Study on the Mechanism of Wuhe Dipsacus asper in Prevention and Treatment of Alzheimer′s Disease Based on Network Pharmacology and Molecular Docking

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作  者:杨娇 周戈 詹杰 叶长青 罗洪斌 YANG Jiao;ZHOU Ge;ZHAN Jie;YE Changqing;LUO Hongbin(Medical Department of Hubei Minzu University,Enshi 445000,China;Institute of Neuropsychiatric Comorbidity,Hubei Minzu University,Enshi 445000,China;Medical Department of Hubei Enshi University,Enshi 445000,China)

机构地区:[1]湖北民族大学医学部,湖北恩施445000 [2]湖北民族大学神经精神共患病研究所,湖北恩施445000 [3]湖北恩施学院医学部,湖北恩施445000

出  处:《湖北民族大学学报(自然科学版)》2023年第1期27-32,共6页Journal of Hubei Minzu University:Natural Science Edition

基  金:国家自然科学基金项目(81260172,81660223);湖北省自然科学基金面上项目(2017CFB451);恩施州科技计划项目(E20170005);生物资源保护与利用湖北省重点实验室开放基金资助项目(PKLHB1903)。

摘  要:阿尔茨海默病(Alzheimer′s disease,AD)是1种随着年龄增长而出现的脑神经系统退行性疾病,近年来发病率不断上升,严重影响患者及其家属的身心健康。五鹤续断防治AD的效果较好,但作用机制不明;因此,应用网络药理学与分子对接探讨其作用机制。通过数据库及相关软件获得药物与疾病靶点、药物-有效物质-靶点-疾病网络示意图、蛋白互作网络,然后进行富集分析,构建分子对接图。预测五鹤续断治疗AD的机制在于其能作用于半胱天冬酶-3、半胱天冬酶-8、半胱天冬酶-9,通过调节胆碱能信号突触、磷脂酰肌醇3-激酶(phosphoinositide 3-kinase,PI3K)/蛋白激酶B(protein kinase B,Akt)等信号通路实现。分子对接研究表明,度值较高的化合物与核心靶蛋白结合较好。结果证明五鹤续断防治AD具有多靶点、多途径的特点,其作用机制可能与调节细胞凋亡有关。Alzheimer′s disease(AD)is a brain nervous system disease that appears with age.The incidence rate is rising,which seriously affects the physical and mental health of patients and their families.Wuhe Dipsacus asper has a good effect on the prevention and treatment of AD,but its mechanism of action is unknown.Therefore,this study applied network pharmacology and molecular docking to explore its mechanism of action.The drug and disease target,drug effective substance target disease network diagram and protein interaction network were obtained through the database and relevant software,and then enrichment analysis was carried out to build the molecular docking diagram.It is predicted that the treatment of AD with Wuhe Dipsacus asper mainly acts on caspase-3,caspase-8 and caspase-9,which are realized by regulating cholinergic signal synapses,phosphoinositide 3-kinase(PI3K)/protein kinase B(Akt)and other signal pathways.The results of molecular docking showed that the compounds with higher degree had better binding with the core target protein.The results showed that Wuhe Dipsacus asper had the characteristics of multiple targets and pathways in the prevention and treatment of AD,and its mechanism might be related to the regulation of apoptosis.

关 键 词:五鹤续断 阿尔茨海默病 网络药理学 分子对接 靶点 

分 类 号:R285[医药卫生—中药学]

 

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