基于网络药理学和分子对接预测金雀异黄素治疗创伤性脑损伤的机制  

Study on the underlying mechanism of genistein in treating traumatic brain injury based on network pharmacology and molecular docking

作　　者：宋进 蒋艳秋 宾华威 刘朝忠 张剑锋[2] 李政钊[2] SONG Jin;JIANG Yan-qiu;BIN Hua-wei(The Second Clinical Medical College of Guangxi Medical University,Nanning 530007,China;不详)

机构地区：[1]广西医科大学第二临床医学院,南宁530007 [2]广西医科大学第二附属医院急诊科,南宁530007

出　　处：《中国处方药》2022年第2期10-13,共4页Journal of China Prescription Drug

基　　金：广西自然科学基金青年项目(2018GXNSFBA050069);广西医科大学第二附属医院“优秀后备人才培育计划专项”(HBRC201803、HBRC201804);广西壮族自治区卫生厅科技研究计划课题(Z2012080、Z20190228)。

摘　　要：目的研究金雀异黄素治疗创伤性脑损伤的潜在分子机制。方法通过中药系统药理学数据库(TCMSP)、SymMap、CTD、GeneCards数据库获得金雀异黄素在治疗创伤性脑损伤的潜在作用靶点,通过Metascape数据库进行GO和KEGG富集分析,使用薛定谔Maestro 10.2软件进行金雀异黄素与核心靶点的分子对接。结果筛选得到47个金雀异黄素治疗创伤性脑损伤的靶点,得到GO生物过程结果66条,GO细胞组成结果42条,GO分子功能结果66条,KEGG通路247条,5个hub基因。5个hub基因分别与金雀异黄素分子对接良好。结论预测金雀异黄素可能通过调控多个靶点和通路途径发挥对抗创伤性脑损伤潜在机制。Objective To explore the mechanism of genistein in the treatment of traumatic brain injury.Methods The potential targets of genistein in the treatment of traumatic brain injury were selected by TCMSP,SymMap,CTD and GeneCards databases.The GO and KEGG enrichment analysis were performed by Metascape database,and the Schrodinger Maestro 10.2 software was used for molecular docking of genistein with core targets.Results There were 47 targets of genistein in the treatment of traumatic brain injury were screened,66 GO biological process results,42 GO cell composition results,66 GO molecular function results,247 KEGG pathway and five hub genes AKT1,VEGFA,CASP3,JUN and INS were obtained.Molecular docking results showed that the five key targets were well docked with genistein.Conclusion It is predicted that genistein may play a potential mechanism against traumatic brain injury by regulating multiple targets and pathways.

关 键 词：创伤性脑损伤 金雀异黄素 网络药理学 分子对接 作用机制 

分 类 号：R285[医药卫生—中药学]