黄芩苷防治雄激素性秃发的网络药理学研究  

The nerwork pharmacology study of baicalin in preventing androgenetic alopecia

作　　者：杨国蓉 林苇舟 杨一诺 杨贞[1] 唐亮 丁滨[1] Yang Guorong

机构地区：[1]浙江中医药大学,310053 [2]杭州至墨生物科技有限公司,310052

出　　处：《浙江临床医学》2023年第1期18-21,共4页Zhejiang Clinical Medical Journal

摘　　要：目的5α-还原酶催化睾酮生成二氢睾酮是雄激素性秃发(Androgenetic alopecia,AGA)重要的发病机制之一,分析黄芩苷在治疗AGA中发挥的作用。方法Autodock软件用于分子对接。应用Pharm Mapper、GeneCards等数据库用于靶点筛选,Cytoscape 3.9.0软件用于构建“疾病-靶点-化合物”关系图,并构建蛋白互作网络图;基于DAVID数据库进行GO功能和KEGG通路富集分析。结果黄芩苷与II型5α-还原酶的结合能为-11.1 kcal/mol。收集到黄芩苷的潜在靶点191个,AGA的靶点460个,共同靶点18个,前5个核心靶点为ALB、AKT1、AR、ESR1、EGFR;GO分析发现核心靶点与68条生物过程、17条细胞组成和30条分子功能相关;KEGG通路分析提示黄芩苷可能通过核心靶点影响雌激素信号通路等12条通路调控AGA的发生。结论基于网络药理学预测黄芩苷治疗AGA可能的分子机制,为进一步深入研究其相关机制提供了数据支持。Objective To analyze the role of baicalin in the treatment of androgenic alopecia(AGA)based on 5α-reductase catalyzing testosterone to generate dihydrotestosterone is one of the important pathogenesis of AGA.Methods The software Autodock was applied for molecular docking analysis in this work.The databases,such as Pharm Mapper and GeneCards,were engaged to screen the targets of baicalin and AGA.And the candidate targets were selected by merging of these targets.The"disease-target-compound"network was constructed with software Cytoscape 3.9.0.Finally,GO function and KEGG pathway enrichment analysis were performed based on DAVID online database.Results The binding energy of baicalin to type II 5α-reductase was-11.1 kcal/mol,which was obtained by AutoDock.A total of 191 potential targets of baicalin and 460 of AGA were selected from the databases,in which 18 common targets were collected by over-lapping of these potential targets.And the top five candidate targets were ALB,AKT1,AR,ESR1,and EGFR.The GO analysis showed that 68 biological processes,17 cell compositions and 30 molecular functions might be impacted by these candidate targets.Finally,the results of KEGG analysis indicated that 12 key signaling pathways,such as estrogen signaling pathway,might involve in the baicalin treatment on AGA through the candidate targets.Conclusion The potential molecular mechanism of baicalin on AGA treatment is predicted based on the network pharmacological study,which may provide some supports for the further study.

关 键 词：网络药理学 黄芩苷 雄激素性秃发 分子对接 

分 类 号：R285[医药卫生—中药学]