[1]吴思敏,盛雯,陈春晓,等.基于网络药理学与分子对接技术探讨脉管复康片治疗动脉粥样硬化的作用机制[J].西部中医药,2024,37(03):52-59.[doi:10.12174/j.issn.2096-9600.2024.03.10]
　WU Simin,SHENG Wen,CHEN Chunxiao,et al.Discussion on the Mechanism of the Treatment of Atherosclerosis by Maiguan Fukang Tablets Based on Network Pharmacology and Molecular Docking[J].Western Journal of Traditional Chinese Medicine,2024,37(03):52-59.[doi:10.12174/j.issn.2096-9600.2024.03.10]
点击复制

基于网络药理学与分子对接技术探讨脉管复康片治疗动脉粥样硬化的作用机制
分享到：

《西部中医药》[ISSN:2096-9600/CN:62-1204/R]

卷:
37
期数:
2024年03期
页码:
52-59
栏目:
二次研究
出版日期:
2024-03-15

文章信息/Info

Title:
Discussion on the Mechanism of the Treatment of Atherosclerosis by Maiguan Fukang Tablets Based on Network Pharmacology and Molecular Docking
作者:
吴思敏1, 盛雯2, 陈春晓1, 黄雪云1, 张锦明2, 赵玲2
1.广州中医药大学，广东 广州 510405
2.广东省中医院，广东 广州 510105
Author(s):
WU Simin1, SHENG Wen2, CHEN Chunxiao1, HUANG Xueyun1, ZHANG Jinming2, ZHAO Ling2
1.Guangzhou University of Chinese Medicine, Guangzhou 510405, China
2.Guangdong Provincial Hospital of Chinese Medicine, Guangzhou 510105, China
关键词:
动脉粥样硬化; 网络药理学; 分子对接; 脉管复康片; 机制研究
Keywords:
atherosclerosis; network pharmacology; molecular docking; tablets; mechanism study
分类号:
R256.2
DOI:
10.12174/j.issn.2096-9600.2024.03.10
文献标志码:
A
摘要:
目的利用网络药理学方法及分子对接技术探析脉管复康片治疗动脉粥样硬化（atherosclerosis，AS）的机制。 方法通过传统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）筛选脉管复康片（丹参、鸡血藤、没药、乳香、郁金）活性成分和靶基因。使用人类基因数据库（the human gene database，GeneCards）、在线人类孟德尔遗传数据库（online mendelian inheritance in man，OMIM）、药物靶标数据库（therapeutic target database，TTD）、遗传药理学与药物基因组学数据库（pharmacogenetics and pharmacogenomics knowledge base，PharmGKB）、DrugBank疾病数据库获得AS相关基因。使用Cytoscape 3.8.2构建“成分-靶点”网络。使用STRING数据库下载蛋白-蛋白互作网络（protein-protein interactions，PPI）数据，导入Cytoscape，使用CytoNCA插件获取核心靶基因。使用R软件进行基因本体（gene ontology，GO）和京都基因与基因组百科全书（kyoto encyclopedia of genes and genomes，KEGG）富集分析。对活性成分及核心基因做分子对接。 结果从脉管复康片中共筛选出157个活性成分，对应AS靶基因238个，PPI核心靶基因共20个。GO功能富集显示生物学功能主要涉及脂多糖反应、细菌来源分子反应、金属离子反应、氧化应激反应等；KEGG通路富集显示主要涉及流体剪切应力和AS、AGE-RAGE信号通路、PI3K-Akt信号通路等；分子对接结果提示槲皮素、木犀草素、柚皮素、丹参酮ⅡA、刺芒柄花素、甘草查尔酮A与4个核心蛋白JUN、MAPK1、TP53、STAT3结合稳定。 结论脉管复康片可通过槲皮素、木犀草素等活性成分作用于多种信号通路及多个基因靶点治疗AS。
Abstract:
ObjectiveTo discuss the mechanism of the treatment of atherosclerosis (AS) by Maiguan Fukang tablets using network pharmacology and molecular docking. MethodsThe active ingredients including Danshen (Salviae miltiorrhizae radix et rhizoma), Jixueteng (Spatholobi caulis), Moyao (Myrrha), Ruxiang (Olibanum) and Yujin (Curcumae radix), and target genes of Maiguan Fukang tablets were screened from TCMSP. AS-related genes were obtained using GeneCards, OMIM, TTD, PharmGKB and DrugBank databases. The network of "ingredient-target" was constructed using Cytoscape 3.8.2. Protein-protein interactions were downloaded using STRING database, imported into Cytoscape, the core target genes were obtained using CytoNCA. GO and KEGG of the related target genes were performed using R software. Molecular docking of active ingredients and the core genes were carried out. ResultsAll 157 active ingredients, 238 corresponding AS target genes and 20 PPI core target genes were screened out from the tablets. Go functional enrichment showed that biological functions mainly involved lipopolysaccharide reactions, bacteria-derived molecular reaction, metal ion reactions and oxidative stress reactions. KEGG pathway enrichment displayed that fluid shear stress and AS, AGE-RAGE signaling pathway, and PI3K-Akt signaling pathway were mainly involved. The results of molecular docking suggested that quercetin, luteolin, naringenin, tanshinone IIA, formononetin, and licorice chalcone A were stable in binding with four core proteins such as JUN, MAPK1, TP53 and STAT3. ConclusionMaiguan Fukang tablets could treat AS through the active ingredients such as quercetin and luteolin, which act on multiple signalling pathway and multiple gene targets.

相似文献/References:

[1]朱晓娜,李天浩.调脂柔脉颗粒治疗动脉粥样硬化性脑梗死的疗效评价[J].西部中医药,2012,25(10):77.
　ZHU Xiao-na,LI Tian-hao.Evaluation on Clinical Efficacy of TiaoZhi RouMai Granules in Treating Atherosclerotic Cerebral Infarction[J].Western Journal of Traditional Chinese Medicine,2012,25(03):77.
[2]东红.中风膏对动脉粥样硬化模型家兔血脂水平、血管内皮功能的影响*[J].西部中医药,2013,26(03):25.
　DONG Hong.Effects of ZhongFengGao on Level of Blood Fat and Vascular Endothelial Function of Rabbits with Atherosclerosis[J].Western Journal of Traditional Chinese Medicine,2013,26(03):25.
[3]张和平,谈建新,王敬敏,等.心脑通配方对大鼠颈总动脉粥样硬化斑块中MMP-2的影响[J].西部中医药,2014,27(03):32.
　ZHANG Heping,TAN Jianxin,WANG Jingmin,et al.Effects of XinNaoTong Prescription on MMP-2 in Carotid Atherosclerotic Plaque of Rats[J].Western Journal of Traditional Chinese Medicine,2014,27(03):32.
[4]王建平,梅妍△,李兰青,等.消脂胶囊对家兔代谢综合征动脉粥样硬化的影响[J].西部中医药,2016,29(03):14.
　WANG Jianping,MEI Yan,LI Lanqing,et al.Influence of XiaoZhi Capsules on Metabolic Syndrome Atherosclerosis of the Rabbits[J].Western Journal of Traditional Chinese Medicine,2016,29(03):14.
[5]张淑英,帅丽,张红芳,等.中药干预尿毒症血透患者CRP增高的临床疗效[J].西部中医药,2017,30(10):79.
　ZHANG Shuying,SHUAI Li,ZHANG Hongfang,et al.Clinical Effects of Herbs in Intervening CRP Rise of Uremia Patients with Hemodialysis[J].Western Journal of Traditional Chinese Medicine,2017,30(03):79.
[6]罗永苗,陈朝俊,李玥珺.基于NF-κB探讨参七脉心通胶囊抗动脉粥样硬化的作用机制[J].西部中医药,2018,31(05):8.
　LUO Yongmiao,CHEN Chaojun,LI Yuejun.Study on the Mechanism of ShenQi MaiXinTong Capsules Fighting against Atherosclerosis Based on NF-κB[J].Western Journal of Traditional Chinese Medicine,2018,31(03):8.
[7]于妍,杨阿妮.芪乌调脂颗粒稳定大鼠动脉粥样硬化斑块的作用机制[J].西部中医药,2018,31(07):17.
　YU Yan,YANG Ani.The Mechanism of QiWu TiaoZhi Granules Stabilizing Atheroslcerotic Plaque of the Rats[J].Western Journal of Traditional Chinese Medicine,2018,31(03):17.
[8]刘云,董剑廷△.中西医结合治疗急性心肌梗死心绞痛临床观察[J].西部中医药,2019,32(01):83.
　LIU Yun,DONG Jianting.Clinical Observation on Integrative Medicine in Treating Acute Myocardial Infarction Angina Pectoris[J].Western Journal of Traditional Chinese Medicine,2019,32(03):83.
[9]聂忠富,孙小燕,张太平,等.吴茱萸碱抑制动脉粥样硬化大鼠氧化应激和炎症反应的实验研究[J].西部中医药,2019,32(08):12.
　NIE Zhongfu,SUN Xiaoyan,ZHANG Taiping,et al.Experimental Study on Rutecarpine in Inhibiting Oxidative Stress and Inflammatory Reaction of AS Rats[J].Western Journal of Traditional Chinese Medicine,2019,32(03):12.
[10]王准.通脉舒络汤治疗老年冠心病的临床观察[J].西部中医药,2020,33(06):81.[doi:10.12174/j.issn.1004-6852.2020.06.21]
　WANG Zhun.Observation on Clinical Effects of Tongmai Shuluo Tang in Treating Coronary Atherosclerotic Heart Disease in the Elderly[J].Western Journal of Traditional Chinese Medicine,2020,33(03):81.[doi:10.12174/j.issn.1004-6852.2020.06.21]

备注/Memo

备注/Memo:
吴思敏（1994—），女，在读博士研究生。研究方向：内分泌代谢性疾病的中医药防治。国家重点研发计划中医药现代化研究重点专项2019年项目（2019YFC1709300）；广东省名中医传承工作室项目（粤中医办函〔2020〕1号）；广东省中医院名中医药专家学术经验传承工作室项目（E54101）。
更新日期/Last Update: 2024-03-15