网络药理学探讨杜仲主要活性成分及药理作用机制

Study on the Main Activite Components and Mechanism of Eucommiae Cortex by Network Pharmacology

目的:从网络药理学角度研究杜仲的主要活性成分及多维药理作用机制。方法:从TCMSP数据库中提取杜仲的化学成分,以口服生物利用度(OB)≥20%和类药性(DL)≥0.1筛选活性成分,通过该数据库提取活性成分作用靶点,以CTD在线分析平台挖掘靶点相关疾病,最后采用DAVID分析靶点关联的主要生物通路,获取杜仲的多维药理机制。结果:通过筛选获得绿原酸甲酯、原儿茶酸、桃叶珊瑚苷、槲皮素、羟基亚甲基丹参酮、表奎尼丁、β-谷甾醇、松脂醇二葡萄糖苷等22个主要活性成分;这些成分可作用于靶点219个,其中核心靶点有ESR1、CA2、DDP4等;这些成分可治疗乳腺肿瘤、高血压、炎症等相关疾病454种,涵盖恶性肿瘤、心血管疾病、神经系统疾病等11大类疾病;这些成分可作用Pathways in cancer、Calcium signaling、Hepatitis B等30条通路。进一步发现杜仲中主要活性成分可通过"多成分-多靶点-多通路"来发挥治疗恶性肿瘤、心血管疾病、免疫系统疾病的作用。结论:本研究从网络药理学角度预测了杜仲的主要活性成分和多维药理作用机制,为进一步探讨其作用机制奠定了基础。

Objective:To investigate the main activite components and pharmacological mechanism of Eucommiae Cortex by network pharmacology.Methods:All the chemical components related to Eucommiae Cortex from the TCMSP Database were collected,the oral bioavailability(OB)≥20% and drug likeness(DL)≥0.1 were used as the screening conditions for obtaining active molecular compounds.The targets related to the active compounds were found through the TCMSP database,the diseases related to targets were found through CTD online analysis platform.Finally,the targets were introduced into the DAVID to analyze main biological pathways for obtaining the deep mechanism of Eucommiae Cortex.Results:22 main active compounds were obtained through network pharmacology screening,sucha as chlorogenie acid methyl ester,protocatechuic acid,aucubin,quercetin,3-β-hydroxymethyllene tanshiquinone, epiquinidine,β-sitosterol,(+)-pinoresinol-di-O-β-D-glucoside ,219 corresponding targets were acted,such as ESR1,CA2、DDP4;these targets could joint in 30 pathways,such as pathways in cancer,calcium signaling,hepatitis B.And these compounds may play a role in breast neoplasms,hypertension and inflammation etc 454 diseases,these diseases belonged to eleven categories of diseases such as cancer,cardiovascular disease and immune system disease.It was found that the components in Eueommiae Cortex may mainly treat cancer, cardiovascular disease and immune system,and system disease by the unique model(multi-compounds,multi-targets and multi-pathways).Conclusion:The results preliminarily verify the main activity components and multidimensional pharmacology mechanism in Eucommiae Cortex,and provides a good foundation for further study on the mechanism of action.