摘要
目的基于网络药理学方法与分子对接技术探讨桑寄生(parasitic loranthus)治疗帕金森病(parkinson's disease,PD)的分子机制与作用特点。方法通过文献研究及TCMSP、Disgenet等数据库筛选得到桑寄生主要活性成分及帕金森病相关靶点,将交集基因导入STRING 11.0数据库构建蛋白互作(PPI)网络模型、Cytoscape 3.9.0软件构建“疾病-药物-活性成分-交集靶点-KEGG通路”网络图及CytoScape中Metascape组件进行GO功能及KEGG信号通路富集分析。最后将筛选得到的成分与靶标进行分子对接。结果从桑寄生中筛选得到4种主要活性成分,即槲皮素、豆甾醇、藏花醛及甲基丁香酚,作用于27个帕金森病靶点,包括TNF、IL6、TP53、HMOX1、IL1B等。桑寄生治疗帕金森病涉及的GO生物学过程共708个,主要包括炎症反应、细胞氧化、细胞凋亡等。涉及的KEGG信号通路有82条,主要包括MAPK、PI3K-Akt以及IL-17等信号通路。结论桑寄生治疗帕金森病具有多成分、多靶点、多通路的作用特点。
Objective A network-based pharmacological approach was used to explore the mechanism and effect characteristics of parasitic loranthus in the treatment of Parkinson's disease(PD).Methods The main active components and Parkinson's disease-related targets were obtained through literature review,TCMSP,Disgenet and other database screening.The intersection genes were imported into STRING 11.0 database to construct protein interaction(PPI)network model and Cytoscape 3.9.0.The network diagram of"disease-drug-active component-intersection target-KeGG pathway"was constructed by software.GO function and KEGG signaling pathway enrichment of Metascape components in CytoScape were analyzed.Finally,molecular docking was carried out between the screened components and the targets.Results Four main active components,namely quercetin,stigmasterol,anthaldehydes and eugenol,were screened from morifolium,which acted on 27 Parkinson's disease targets,including TNF,IL6,TP53,HMOX1 and IL1B.A total of 708 GO biological processes were involved in the treatment of Parkinson's disease by Mulberry parasite,including inflammatory response,cell oxidation and cell apoptosis.There were 82 KEGG signaling pathways involved,including MAPK,PI3K-Akt and IL-17 signaling pathways.Conclusion Parasitic loranthus showed characteristics of multiple components,multiple targets and multiple pathways in the treatment of Parkinson's disease.
作者
龚莉焰
李双阳
白雪
GONG Liyan;LI Shuangyang;BAI Xue(School of Integrated Traditional Chinese and Western Medicine,Southwest Medical University,Luzhou 646000,China;Department of Neurology,the Affiliated T.C.M Hospital of Southwest Medical University,Luzhou 646000,China)
出处
《西南医科大学学报》
2022年第6期528-534,共7页
Journal of Southwest Medical University
基金
四川省教育厅课题(17ZAD442)。
关键词
桑寄生
帕金森病
网络药理学
分子对接
靶点
信号通路
Parasitic loranthus
Parkinson's disease
Network pharmacology
Molecular docking
Target
Signaling pathway
