补肾安胎冲剂治疗复发性流产的潜在分子机制  

Potential Molecular Mechanism of Bushen Antai Granule in the Treatment of Recurrent Miscarriage

作　　者：侯阿美 储继军[2] 汪小莉 郭锦晨 HOU Amei;CHU Jijun;WANG Xiaoli;GUO Jinchen(Anhui University of Chinese Medicine,Anhui Hefei 230038,China;The First Affiliated Hospital of Anhui University of Chinese Medicine,Anhui Hefei 230031,China)

机构地区：[1]安徽中医药大学,安徽合肥230038 [2]安徽中医药大学第一附属医院,安徽合肥230031

出　　处：《中医药临床杂志》2022年第7期1288-1294,共7页Clinical Journal of Traditional Chinese Medicine

基　　金：2021年度安徽中医药大学临床科研项目(2021yfylc09);全国名老中医药专家传承工作室建设项目;罗元恺滋肾育胎丸中青年科研基金项目(20190805)。

摘　　要：目的:基于前期研究,采用网络药理学联合分子对接技术探索补肾安胎冲剂治疗复发性流产的有效成分及作用机制。方法:通过TCMSP数据库筛选出各药物活性成分,利用Pubchem、SwissTarget Prediction数据库预测各药活性成分的潜在靶点,通过Genecards、OMIM、TTD、GeneBank、PharmGkb等数据库获取RSA相关靶点,将药物与疾病相关靶点交集获取共同靶点。然后通过STRING数据库构建PPI网络,运用Cytoscape 3.8.2构建中药复方网络,并筛选补肾安胎冲剂治疗RSA的核心靶点,再运用DAVID数据库、R语言对所得到的核心靶点进行GO功能富集及KEGG通路富集分析,最后采用分子对接技术对关键靶点、相应活性成分进行分子对接验证。结果:通过网络分析可知,补肾安胎冲剂中的11种中药共包含了110个活性成分,涉及139个靶标,与RSA共同靶标基因有102个,GO功能富集分析得到条目1942条(P<0.05),其中BP条目1762个,CC条目32个,MF条目148个,KEGG通路富集分析共得到157条信号通路(P<0.05),主要有PI3K-AKT信号通路、AGE-RAGE信号通路、p53信号通路、IL-17信号通路、TNF信号通路、内分泌抵抗等;分子对接结果表明筛选出的关键靶点受体蛋白与活性成分具有较好的结合稳定性。结论:补肾安胎冲剂通过多组分、多靶点和多途径的方式对RSA产生治疗作用。Objective:Based on the previous research,using network pharmacology combined with molecular docking technology to explore the effective components and mechanism of Bushen Antai Granules in the treatment of recurrent miscarriage.Methods:The active ingredients of each drug were screened out through the TCMSP database,and the potential targets of the active ingredients of each drug were predicted using the Pubchem and SwissTarget Prediction databases.Intersection of related targets to obtain common targets.Then,the PPI network was constructed through the STRING database,and the traditional Chinese medicine compound network was constructed using Cytoscape 3.8.2,and the core targets of Bushen Antai Granules in the treatment of RSA were screened,and then the DAVID database and R language were used to enrich the core targets obtained by GO function enrichment.And KEGG pathway enrichment analysis,and finally,molecular docking technology was used to verify the key targets and corresponding active ingredients.RESULTS:The network analysis showed that the 11 traditional Chinese medicines in Bushen Antai Granules contained 110 active ingredients,involving 139 targets,102 common target genes with RSA,and 1942 items were obtained by GO function enrichment analysis (P<0.05),including 1762 BP entries,32 CC entries,and 148 MF entries.KEGG pathway enrichment analysis yielded a total of 157 signaling pathways (P<0.05),mainly including PI3K-AKT signaling pathway,AGE-RAGE signaling pathway,p53 signaling pathway,IL-17 signaling pathway,TNF signaling pathway,endocrine resistance,etc.Molecular docking results show that the screened key target receptor proteins have good binding stability to the active ingredients.Conclusion:Bushen Antai Granule can treat RSA through multi-component,multi-target and multi-path way.

关 键 词：补肾安胎冲剂 复发性流产 网络药理学 分子对接 作用机制 

分 类 号：R271.4[医药卫生—中医妇科学]