[1]古惠文,江勉君,朱君瑶,等.基于网络药理学及分子对接分析川芎嗪治疗脓毒症的作用机制[J].西部中医药,2022,35(10):17-22.[doi:10.12174/j.issn.2096-9600.2022.10.05]
　GU Huiwen,JIANG Mianjun,ZHU Junyao,et al.The Mechanism of Treating Sepsis by Ligustrazine Based on Network Pharmacology and Molecular Docking[J].Western Journal of Traditional Chinese Medicine,2022,35(10):17-22.[doi:10.12174/j.issn.2096-9600.2022.10.05]
点击复制

基于网络药理学及分子对接分析川芎嗪治疗脓毒症的作用机制
分享到：

《西部中医药》[ISSN:2096-9600/CN:62-1204/R]

卷:
35
期数:
2022年10期
页码:
17-22
栏目:
出版日期:
2022-10-15

文章信息/Info

Title:
The Mechanism of Treating Sepsis by Ligustrazine Based on Network Pharmacology and Molecular Docking
作者:
古惠文1, 江勉君1, 朱君瑶1, 史忠亮1, 郭力恒2
1.广州中医药大学第二临床医学院,广东 广州 510403
2.广州中医药大学第二附属医院
Author(s):
GU Huiwen1, JIANG Mianjun1, ZHU Junyao1, SHI Zhongliang1, GUO Liheng2
1.The Second Clinical Medical College, Guangzhou University of Chinese Medicine, Guangzhou 510403, China
2.The Second Affiliated Hospital of Guangzhou University of Chinese Medicine
关键词:
脓毒症; 川芎嗪; 网络药理学; 分子对接; 靶点; 信号通路
Keywords:
sepsis; ligustrazine; network pharmacology; molecular docking; targets; signaling pathway
分类号:
R714.62+6
DOI:
10.12174/j.issn.2096-9600.2022.10.05
文献标志码:
A
摘要:
目的通过网络药理学及分子对接分析川芎嗪治疗脓毒症的机制。 方法通过中药系统药理学数据库与分析平台（traditional Chinese medicine systems pharmacology database and analysis platform，TCMSP）、中药分子机制的生物信息学分析工具（a bioinformatics analysis tool for molecular mechanism of traditional Chinese medicine，BATMAN-TCM）、PharmMapper Server收集川芎嗪作用靶点，利用人类在线孟德尔遗传数据库（online Mendelian inheritance in man，OMIM）、人类基因的综合数据库（the human gene database，GENECARDS）、DRUGBANK ONLINE、靶点数据库（therapeutic target database，TTD）筛选脓毒症疾病相关靶点。使用STRING数据库进行川芎嗪治疗脓毒症作用靶点的蛋白互作网络（protein-protein interaction，PPI）分析，运用Cytoscape 3.7.1进行可视化，用其插件Cytohubba筛选关键靶点。利用DAVID 6.8数据库进行靶点GO功能富集分析和KEGG信号通路富集分析，利用Autodock Vina 1.1.2软件进行分子对接预测川芎嗪对脓毒症作用靶点的结合性。 结果筛选出川芎嗪作用靶点243个，川芎嗪治疗脓毒症作用靶点46个，关键靶点10个，信号通路10条。 结论川芎嗪治疗脓毒症具有多靶点、多通路作用的特点，其作用机制可能是通过调节免疫与凝血功能、保护血管内皮、抑菌、抗氧化、抗凋亡等多个机制治疗脓毒症。
Abstract:
ObjectiveTo analyze the mechanism of ligustrazine in the treatment of sepsis through network pharmacology and molecular docking. MethodsThe targets of lugustrazine were collected via TCMSP, BATMAN-TCM and PharmMapper Server, sepsis-related targets were screened by using OMIM, GENECARDS, DRUGBANK ONLINE and TTD. PPI of ligustrazine in the treatment of sepsis was analyzed by using STRING database, visualization was performed by using Cytoscape 3.7.1, and its key targets were selected by using its plug-in Cytohubba. GO functional enrichment analysis and KEGG signaling pathway enrichment analysis of the targets were performed by using DAVID 6.8 database, and Autodock Vina 1.1.2 software was used to predict the binding of ligustrazine to sepsis targets by molecular docking. ResultsAll 243 targets of ligustrazine, 46 targets of ligustrazine in the treatment of sepsis, 10 key targets and 10 signaling pathways were screened. ConclusionLigustrazine in the treatment of sepsis shows the characteristics of multi-targets, multi-pathways, and its mecha-nism of treating sepsis might be through many mechanisms of regulating immune and coagulation function, protecting vascular endothelium, inhibiting bacteria, oxidation resistance and anti-apoptosis.

相似文献/References:

[1]赵帅,李娟,季清娜,等.中西医结合治疗脓毒症胃肠功能障碍临床观察[J].西部中医药,2013,26(11):98.
　ZHAO Shuai,LI Juan,JI Qingna,et al.Clinical Observation on Treatment for Gastrointestinal Dysfunction of Sepsis with Integrative Medicine[J].Western Journal of Traditional Chinese Medicine,2013,26(10):98.
[2]祝伟,田浩.川芎嗪联合小剂量雷公藤治疗儿童哮喘急性发作期患儿38例[J].西部中医药,2015,28(02):102.
[3]刘俊玲,白明明.纳米银敷料联合川芎嗪治疗Ⅱ度烧伤30例[J].西部中医药,2016,29(02):107.
　LIU Junling,BAI Mingming.Treating 30 Cases of Deep Second-degree Burn by Nano Silver Dressings combined with Ligustrazine[J].Western Journal of Traditional Chinese Medicine,2016,29(10):107.
[4]张靓,赵雷,孙芳园,等.升降散治疗瘀毒内阻型脓毒症的临床研究[J].西部中医药,2017,30(12):45.
　ZHANG Liang,ZHAO Lei,SUN Fangyuan,et al.Clinical Study of ShengJiang Powder in the Treatment of Sepsis of Stasis-Toxin Internal Obstruction Pattern[J].Western Journal of Traditional Chinese Medicine,2017,30(10):45.
[5]王宜艳,陈伟.芪参合剂对耐药肺炎克雷伯菌脓毒症大鼠的固有免疫调节作用研究[J].西部中医药,2020,33(02):6.[doi:10.12174/j.issn.1004-6852.2020.02.02]
　WANG Yiyan,CHEN Wei.A Study on the Regulating Action of Qishen Mixture for Innate Immunityof Drug-resistant Pneumoniae Klebsiella Sepsis Rats[J].Western Journal of Traditional Chinese Medicine,2020,33(10):6.[doi:10.12174/j.issn.1004-6852.2020.02.02]
[6]浦清,刘蕾蕾,居培红,等.血必净注射液对脓毒症患者治疗效果及血清甲状腺激素水平的影响[J].西部中医药,2020,33(06):85.[doi:10.12174/j.issn.1004-6852.2020.06.22]
　PU Qing,LIU Leilei,JU Peihong,et al.Clinical Effects of Xuebijing Injection in Treating Sepsis and Its Impacts on the Levels of Serum Thyroid Hormone[J].Western Journal of Traditional Chinese Medicine,2020,33(10):85.[doi:10.12174/j.issn.1004-6852.2020.06.22]
[7]陈剑明,刘清泉,黄坡,等.中医通腑泄热法治疗脓毒症胃肠功能障碍的系统评价与Meta分析[J].西部中医药,2022,35(02):67.[doi:10.12174/j.issn.2096-9600.2022.02.17]
　CHEN Jianming,LIU Qingquan,HUANG Po,et al.Systematic Evaluation and Meta-analysis of TCM Bowel-freeing Method of TongFu XieRe in the Treatment of Gastrointestinal Dysfunction in Sepsis[J].Western Journal of Traditional Chinese Medicine,2022,35(10):67.[doi:10.12174/j.issn.2096-9600.2022.02.17]
[8]霍浩然,秦瑞峰,薛佳栋,等.基于PI3K/Akt/mTOR通路探讨川芎嗪诱导人胃癌细胞凋亡和自噬作用的机制研究[J].西部中医药,2022,35(10):12.[doi:10.12174/j.issn.2096-9600.2022.10.04]
　HUO Haoran,QIN Ruifeng,XUE Jiadong,et al.Research on the Mechanism of TMP- induced Apoptosis and Autophagy in Human Gastric Cancer Cells Based on P13k/Akt/mTOR Pathway[J].Western Journal of Traditional Chinese Medicine,2022,35(10):12.[doi:10.12174/j.issn.2096-9600.2022.10.04]
[9]江四华,代卓青,刘田,等.四逆汤通过自噬途径对脓毒症大鼠左心室功能的影响[J].西部中医药,2023,36(11):19.[doi:10.12174/j.issn.2096-9600.2023.11.04]
　JIANG Sihua,DAI Zhuoqing,LIU Tian,et al.Effects of Sini Tang on Left Ventricular Function in Sepsis Rats via Autophagy[J].Western Journal of Traditional Chinese Medicine,2023,36(10):19.[doi:10.12174/j.issn.2096-9600.2023.11.04]
[10]马世河,惠普晟,龙漫.基于网络药理学及分子对接技术探究黄连解毒汤治疗脓毒症的分子机制[J].西部中医药,2024,37(02):54.[doi:10.12174/j.issn.2096-9600.2024.02.12]
　MA Shihe,HUI Pusheng,LONG Man.Molecular Mechanism of the Treatment of Sepsis with Huanglian Jiedu Decoction Based on Network Pharmacology and Molecular Docking[J].Western Journal of Traditional Chinese Medicine,2024,37(10):54.[doi:10.12174/j.issn.2096-9600.2024.02.12]

备注/Memo

备注/Memo:
古惠文（1994—），男，在读硕士研究生。研究方向：心血管疾病的中西医结合治疗。国家自然科学基金（81673702）；广东省自然科学基金（2017A030313725）；广东省中医院史载祥名医传承工作室。
更新日期/Last Update: 2022-10-15