基于网络药理学分析金钗石斛治疗神经系统疾病的药效物质基础及作用机制

Analysis of the Pharmacodynamic Material Basis and Mechanism of Dendrobium Nobile in the Treatment of Nervous System Diseases Using Integrative Network Pharmacology

目的:基于网络药理学分析金钗石斛治疗神经系统疾病的药效物质基础及作用机制。方法:检索SinoMed、中国知网、万方等数据库获取金钗石斛中的化学成分,将成分录入TargetNet数据库以获取潜在靶点,再将靶点导入CTD数据库检索相关疾病,导入DAVID数据库获取靶点的基因功能及作用通路。用Cytoscape软件构建"成分-靶点"及"靶点-疾病"网络等进一步可视化整合分析。并采用AutoDock Vina软件对关键成分与靶点进行分子对接验证。结果:本研究共收集到金钗石斛中47个成分,可作用于88个靶点,进一步分析可知Nobilin D、Nobliomethylene、decumbic acid B、(+)-dendrolactone、(-)-denobilone A和Nobilin等成分是金钗石斛治疗神经系统疾病的主要药效物质基础,可作用于MIF、ERS2、CYP19A1、ABCG2、TLR9和DRD5等关键靶点,通过调节Sphingolipid signaling pathway、Cocaine addiction及Serotonergic synapse等信号通路来发挥治疗神经系统疾病的作用。结论:本研究揭示了金钗石斛多成分、多靶点、多途径的作用规律,为深入开展金钗石斛治疗神经系统疾病的作用机制研究提供新的依据。

Objective:To analyze the pharmacodynamic material basis and mechanism of Dendrobium nobile in the treatment of nervous system diseases using integrative network pharmacology.Methods:The chemical constituents of Dendrobium nobile were collected from the databases of Si-noMed,China HowNet and Wanfang.The constituents were input into TargetNet database for potential target capture.The obtained target was then imported into CTD database to get related diseases.The gene function and pathway enrichment of the target were analyzed by DAVID database.Componenttarget network and target-disease network were constructed by Cytoscape software.The relation between the ingredients and targets were validated by AutoDock Vina software.Results:A total of 47 components were collected from Dendrobium nobile,which could act on 88 targets.Nobilin D,Nobliomethylene,decumbic acid B,(+)-dendrolactone,(-)-denobilone A,Nobilin were the main material basis for the treatment of nervous system diseases through multivariate network analysis.The components in Dendrobium nobile mainly acted on these key targets including MIF,ERS2,CYP19 A1,ABCG2,TLR9 and DRD5,and further regulate the Sphingolipid signaling pathway,Cocaine addiction and Serotonergic synapse for treating nervous system diseases.Conclusion:This study reveals the multi-component,multi-target and multi-pathway action of Dendrobium nobile,and provides a new basis for further research on the mechanism of Dendrobium nobile in the treatment of nervous system diseases.