基于网络药理学的当归芍药散治疗PD机制研究  

Study on mechanism of Danggui Shaoyao Powder in treatment of Parkinson s disease based on network pharmacology

作　　者：张冠英 张洪财[2] ZHANG Guan-ying;ZHANG Hong-cai(Harbin Engineering University Hospital,Harbin 150096,China;Heilongjiang University of Chinese Medicine,Key Laboratory of Basic and Application of Northern Medicine,Harbin 150040,China)

机构地区：[1]哈尔滨工程大学医院,哈尔滨150096 [2]黑龙江中医药大学北药基础与应用重点实验室,哈尔滨150040

出　　处：《哈尔滨商业大学学报（自然科学版）》2023年第1期9-16,共8页Journal of Harbin University of Commerce：Natural Sciences Edition

基　　金：国家自然科学青年基金项目(81803711);黑龙江省自然科学青年基金项目(QC2018118);黑龙江中医药大学“优秀创新人才青年教师支持计划”项目(2018RCQ09)。

摘　　要：通过计算机技术筛选当归芍药散治疗帕金森病的主要活性成分及其潜在作用靶点,探讨当归芍药散对帕金森病的多成分群-多靶点群-疾病的有效的分子机制和通路.应用TCMSP数据库总结整理当归芍药散中当归、芍药、茯苓、白术、泽泻、川芎的成分和作用靶点,并以OB≥30%、DL≥0.18为标准筛选出有效成分,合并六种药物的主要有效成分,去除重复项后获得当归芍药散的主要有效成分,去除非人源蛋白及重复项后,运用Uniprot数据库查询靶蛋白对应的基因名.然后通过TTD、Genecards、OMIM数据库提取PD疾病的相关靶点基因,进行Venn分析选取两者交集的靶蛋白,导入String数据库进行蛋白质相互作用分析和cytoscape3.8.0软件建立成分-靶点-疾病网络进行拓朴异构分析,再采用DAVID在线分析数据工具和FunRich对筛选出的共同靶点进行GO和KEGG富集分析.筛选得到当归芍药散的的54个活性成分及作用于帕金森病的靶点46个,主要与PTGS1、PTGS2、NR3C2、NCOA2、PGR、CHRM1等靶点有关;PPI网络涉及43个节点,184条边;以P<0.05进行筛选,得到GO生物过程119条,主要涉及对雌二醇反应、脂多糖应答、老化、ERK1和ERK2级联的正调节、RNA聚合酶Ⅱ启动子的转录起始、信号转导等.KEGG通路53条,主要为神经活性配体-受体相互作用等相关通路、TNF信号通路、癌症途径、5-羟色胺能突触、胆碱能突触、多巴胺能突触、可卡因成瘾等.分子对接结果显示芍药、当归中的β-谷甾醇、豆甾醇、山奈酚、川芎中的杨梅酮与关键靶点PTGS1、PTGS2、NCOA2和CHRM1的结合能力较强,具有潜在抗PD作用.白芍中的kaempferol、beta-sitosterol、(+)-catechin川芎中的Myrricanone、sitosterol、当归中的Stigmasterol、白术中的3β-acetoxyatractylone、茯苓中的hederagenin等有效成分作用于信号通路、细胞凋亡、神经活性配体-受体相互作用、癌症途径可能是当归芍药散治�To predict and screen the active components and potential targets of Danggui Shaoyao Powder in the treatment of Parkinson s disease by network pharmacology technology,and to explore the effective molecular mechanism and pathway of Danggui Shaoyao Powder in the treatment of Parkinson s disease.TCMSP、BATMAN-TCM and other databases were used to summarize and sort out the components of angelica,Paeonia lactiflora,Rhizoma Atractylodis Macrocephalae,Rhizoma alismatis and Rhizoma Chuanxiong in Danggui Shaoyao Powder.The effective components were screened by OB≥30%and DL≥0.18.The main effective components of Danggui Shaoyao Powder were obtained after removing the duplicate items.Tcmsp database was used to query the action target of each compound.The target protein regulated by Danggui Shaoyao Powder was obtained after removing non-human protein and duplication.Then the target genes related to PD were extracted from TTD,genecards and OMIM databases.The component target disease network was established by using string database and Cytoscape software.Go enrichment analysis and KEGG pathway analysis of core targets were performed by David.54 active components of Danggui Shaoyao Powder were screened,and 46 targets related to Parkinson's disease were predicted,which were mainly related to PTGS1、PTGS2、NR3C2、NCOA2、PGR、CHRM1.119 GO bioprocesses and 53 signaling pathways were screened with P<0.05.Molecular docking results showed thatβ-sitosterol,stigmasterol,kaempferol and myricetone in Rhizoma Chuanxiong were related to ptgs1 and ptgs1,PTGS2,ncoa2 and chrm1 have strong binding ability and have potential anti PD effect.Kaempferol,beta sitosterol,myricanone,sitosterol,stigmasterol,3-βacetoxyatractylone and hederagenin in Rhizoma Paeoniae Alba,myrricanone,sitosterol in Chuanxiong,stigmasterol in Angelica,3β-acetoxyatractylone in Atractylodes macrocephala and hederagenin in Poria cocos may be the molecular mechanisms and related pathways of Danggui Shaoyao Powder in treating PD.

关 键 词：帕金森病 当归芍药散 网络药理学 分子机制 分子对接 

分 类 号：R285[医药卫生—中药学]