基于网络药理学和分子对接探讨参麦注射液与急性肺损伤/急性呼吸窘迫综合征相关分子机制  

Molecular Mechanism of Shenmai Injection in Treating Acute Lung Injury/Acute Respiratory Distress Syndrome Based on Network Pharmacology and Molecular Docking

作　　者：刁一芮 丁奇 许功灏 章晨 朱文翔[2] 曲思昊 王路 张彬彬 史渊源 Diao Yirui;Ding Qi;Xu Gonghao;Zhang Chen;Zhu Wenxiang;Qu Sihao;Wang Lu;Zhang Binbin;Shi Yuanyuan(Beijing University of Chinese Medicine,Beijing 100029,China)

机构地区：[1]北京中医药大学,北京100029 [2]深圳北京中医药大学研究院,广东深圳518118

出　　处：《中国中医急症》2021年第10期1710-1714,共5页Journal of Emergency in Traditional Chinese Medicine

基　　金：国家重点研发计划(2019YFC1710105)。

摘　　要：目的基于数据挖掘的方法探讨参麦注射液治疗急性肺损伤(ALI)/急性呼吸窘迫综合征(ARDS)的靶点及作用机制。方法通过文献研究、PubChem数据库、ChemBioDraw软件确定参麦注射液的有效成分及化合物的基本信息;利用SwissTargetPrediction以及GeneCards数据库进行药物靶点及疾病靶点预测。借助String数据库以及Cytoscape3.7.2软件构建潜在靶点的PPI网络,相关靶点汇总,导入DAVID数据库,进行GO生物学过程和KEGG信号通路富集分析,并将相关成分靶点通过Autodock vina软件进行分子对接。结果筛选出28个人参活性成分,7个麦冬活性成分;并收集到参麦注射液治疗ALI/ARDS的靶基因57个,构建"成分-靶点-通路-网络"。结论本研究基于网络药理学和分子对接分析,探究了参麦注射液治疗ALI/ARDS的分子靶点和作用机制,为日后临床治疗提供指导和依据。Objective:Based on data mining method,this article explored the targets and mechanism of Shenmai Injection in the treatment of acute lung injury(ALI)/acute respiratory distress syndrome(ARDS).Methods:After literature research,PubChem database and ChemBioDraw software was used to determine the effective ingredients and the compound basic information of Shenmai Injection.Also,SwissTargetPrediction and GeneCards database were used to predict drug targets and disease targets.String database and Cytoscape 3.7.2 software were used to construct a PPI network of potential targets and summarize related targets.Then the targets were imported into the DAVID database to conduct GO biological process and KEGG signal pathway enrichment analysis.Related component targets-molecular docking was performed through Autodock vina software.Results:A total of 28 active ingredients of ginseng and 7 active ingredients of Ophiopogon japonicus were screened out;and 57 target genes of Shenmai Injection treatment on ALI/ARDS were collected to construct a“component-target-pathway-network”.Conclusion:Based on network pharmacology and molecular docking analysis,this study explores the molecular targets and mechanism of Shenmai Injection on ALI/ARDS,and provides guidance and basis for future clinical treatment.

关 键 词：急性肺损伤 急性呼吸窘迫综合征 参麦注射液 网络药理学 分子对接 

分 类 号：R563[医药卫生—呼吸系统]