基于网络药理学研究陇产当归挥发油类成分多维药理的作用机制

目的：运用网络药理学方法研究陇产当归挥发油类成分的药理作用机制，为道地药材的合理使用与深度开发提供有价值的研究策略。方法：本研究联合使用Pubchem、UniProt、CTD、Omicshare、SWISS、STITCH、中药系统药理学数据库与分析平台（TCMSP）多个靶点筛选、预测与分析数据库，运用Cytoscape软件构建化学成分-靶点-疾病网络模型。最后对陇产当归特征性高含量化学成分群-挥发油类化合物相关靶点进行挖掘预测，借助Omicshare和CTD数据库对靶点进行基因本体（GO）富集分析与通路富集分析，并构建成分-靶点-疾病相关作用网络，进一步挖掘陇产当归多维药理作用机制。结果：陇产当归挥发油类成分藁本内酯、正丁基苯酞和正丁烯基苯酞通过LAU、ALOX5、ESR1、AR等36个靶点作用于Na+/Cl-神经递质转运蛋白、SLC介导的跨膜转运、白细胞介素信号转导等多条信号通路，从而发挥多维药理作用，这些成分主要可治疗神经系统、肿瘤、心血管疾病、消化系统、免疫系统等16种相关疾病。结论：基于网络药理学的研究方法寻找不同产区药材特征性高含量化学成分群（与其他产地比较差异有统计学意义的关键靶点、信号通路、疾病网络，为深入研究我国不同产区中药资源的药理作用及机制研究提供可靠的数据支撑。

Pharmacological Mechanism of the Essential Oil Compounds from Angelica Sinensis in Gansu Province by Network Pharmacology

To investigate the pharmacological mechanism of the essential oil compounds from Angelica Sinensis in Gansu province by network pharmacology,and to provide a valuable research strategy for the rational use and in-depth research and development of A.Sinensis in Gansu province.Methods:Information about the essential oil compounds from A.Sinensis obtained based on the previous research of our research group were used,and Pubchem,UniProt,Comparative Toxicogenomics Database(CTD),Omicshare,Swiss,STITCH and Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP) were searched to predict the targets.Cytoscape was employed to construct the compound-target-pathway-disease network.The targets were subjected to Gene ontology(GO) and Kyoto Encyclopedia of Genes and Genomes(KEGG) pathway enrichment analyses using Omicshare and CTD to analyze the main biological pathways for obtaining the pharmacological mechanism of A.Sinensis in Gansu province.Results:The essential oil compounds from A.Sinensis in Gansu province were obtained through our previous work and network pharmacology screening.It was found ligustilide,3-n-butylphthalide and 3-butylidenephthalide acted on 36 corresponding targets,such as LAU,ALOX5,ESR1,AR,CYR19A1,and STAT3,involving Na+/Cl- dependent neurotransmitter transporters,SLC-mediated transmembrane transport and interleukins,and other signaling pathways.These compounds played an important role in 16 diseases,including nervous system,neoplasms,cardiovascular diseases,digestive system,and immune system.Conclusion:Network pharmacology could help to find the key targets,signaling pathway and disease network that showed significant differences among the characteristic high-content chemical constituents of medicinal herbs from different producing areas,which provided useful information and data support for further studying the pharmacological effect and mechanism of traditional Chinese medicine resources in different regions of China.