基于网络药理学和分子对接探讨蒙药珍宝丸治疗缺血性脑卒中的作用机制  

Investigation on the function mechanism of Mongolian medicine Zhenbao Pill in the treatment of ischemic stroke based on network pharmacology and molecular docking

作　　者：胡宝强 张建辉[2] 王姝瑶[2] 徐耀铭 徐鹏 于靳洋[2] 杜艳秋 HU Baoqiang;ZHANG Jianhui;WANG Shuyao;XU Yaoming;XU Peng;YU Jinyang;DU Yanqiu(Tongliao Clinical Medical College,Inner Mongolia Medical University,Inner Mongolia,Tongliao 028000,China;Tong Liao City Hospital,Inner Mongolia,Tongliao 028000,China)

机构地区：[1]内蒙古医科大学通辽临床医学院,内蒙古通辽028000 [2]内蒙古通辽市医院,内蒙古通辽028000

出　　处：《中国医药科学》2023年第14期72-75,136,共5页China Medicine And Pharmacy

基　　金：内蒙古自治区自然科学基金(2020MS08209)。

摘　　要：目的基于网络药理学和分子对接探讨蒙药珍宝丸治疗缺血性脑卒中的作用机制。方法对珍宝丸中的有效活性成分及其对应靶点进行筛选,并运用DisGeNET、CTD以及GeneCards数据库,对缺血性脑卒中相关靶点进行搜集。将所获得的数据进行VENN分析,获得疾病与成分的交集靶点,然后将交集靶点通过Cytoscape软件进行拓扑分析及蛋白质互作(PPI)网络图绘制。通过DAVID网站对京都基因与基因组百科全书(KEGG)数据库及基因本体(GO)数据库进行基因通路的富集分析。最后通过AutoDock软件进行分子对接验证。结果筛选出珍宝丸中活性成分283种,搜集缺血性脑卒中靶点22029个,相互交集的靶点113个。GO富集分析发现其主要富集在细胞因子活性、细胞对缺氧的反应等方面。KEGG分析发现涉及白细胞介素(IL)-17信号传导途径、脂质和动脉硬化等多条通路。分子对接结果中,能够紧密结合的占比61%,证明珍宝丸成分与缺血性脑卒中疾病关联密切。结论珍宝丸可能通过参与调控MAPK/PPARG/VEGF/mTOR等信号通路,缓解缺血部位细胞凋亡,调控局部炎症反应,改善氧化应激,最终治疗缺血性脑卒中。Objective To investigate the function mechanism of Mongolian medicine Zhenbao Pill in the treatment of ischemic stroke based on network pharmacology and molecular docking.Methods The effective active components and their corresponding targets in Zhenbao Pill were screened.Secondly,the related targets of ischemic stroke were collected by using DisGeNET,CTD and GeneCards databases.VENN analysis was carried out on the obtained data to acquire the intersection target of diseases and components.In addition,the topology analysis and PPI network diagram drawing of the intersection target were performed through Cytoscape software.KEGG and GO enrichment analyses were conducted through the DAVID website.Finally,the molecular docking was verified by AutoDock software.Results A total of 283 kinds of active components in Zhenbao Pill were screened out,and 22029 targets of ischemic stroke were collected,with 113 targets intersecting with each other.GO enrichment analysis revealed primary enrichment in cytokine activity and cell response to hypoxia.KEGG analysis found that multiple pathways,such as interleukin(IL)-17 signaling transduction pathways,lipids and arteriosclerosis were involved.In the results of molecular docking,61%of the components can be closely combined,proving that the components of Zhenbao Pill were closely related to ischemic stroke.Conclusion Zhenbao Pill may be involved in regulating MAPK/PPARG/VEGF/mTOR and other signaling pathways,so as to alleviate apoptosis in ischemic sites,regulate local inflammatory response,improve oxidative stress,and finally treat ischemic stroke.

关 键 词：缺血性脑卒中 珍宝丸 网络药理学 分子对接 

分 类 号：R285.5[医药卫生—中药学]