摘要
通过网络药理学和分子对接的方法,探究丹参治疗血淤证的分子机制。首先通过TCMSP和ETCM数据库对丹参的活性成分丹参酮ⅡA(TⅡA)、隐丹参酮(CT)、丹酚酸A(SAA)、丹酚酸B(SAB)、丹参酮Ⅰ(TⅠ)和二氢丹参酮Ⅰ(DⅠ)的靶点进行检索,再用STRING数据库、Cystoscape软件等进行靶点的筛选。然后用GO分析、KEGG富集分析和分子对接的方法,预测丹参的活性成分在治疗血淤证过程中出现的生物学过程、代谢通路和各活性成分与其靶点的结合活性。对检索到的丹参的活性成分的靶点进行GO功能富集分析,结果显示与血淤证相关的生物过程是血管内皮生长刺激因子的细胞反应和血管内皮生长因子受体信号通路;与血淤证相关的细胞组分是血小板α颗粒区、富ficolin-1颗粒区和血液微粒;与血淤证相关的分子功能是一氧化氮合酶调节活性功能。KEGG通路富集分析共富集到3条通路,其中与血淤证相关的通路是血小板激活通路。分子对接结果显示,TⅡA、CT、SAA和SAB与靶点p38和ERK紧密结合,SAA、SAB和DⅠ与靶点SRC紧密结合。研究证明丹参的活性成分可以通过靶点p38、ERK和SRC抑制血小板聚集从而治疗血淤证。
In this study,we investigated the molecular mechanism of Salvia miltiorrhiza in the treatment of blood stasis by network pharmacology and molecular docking.Firstly,we searched the targets of tanshinoneⅡA(TⅡA),cryptotanshinone(CT),salvianolic acid A(SAA),salvianolic acid B(SAB),tanshinoneⅠ(TⅠ)and dihydrotanshinoneⅠ(DⅠ),the active ingredients of Salvia miltiorrhiza,through TCMSP and ETCM databases,and then screened the targets by using STRING database and Cystoscape software.Then,GO enrichment analysis,KEGG enrichment analysis and molecular docking were used to predict the biological processes,metabolic pathways and binding activities between the active ingredients of Salvia miltiorrhiza and their targets in the treatment of blood stasis syndrome.The GO functional enrichment analysis of the retrieved targets of the active ingredients of Salvia miltiorrhiza showed that the biological processes associated with blood stasis were the cellular response to vascular endothelial growth stimulating factor(VEGF)and the vascular endothelial growth factor receptor(VEGFR)signaling pathway;the cellular components associated with blood stasis were plateletα-granule region,ficolin-1-rich granule region,and blood microparticles;and the molecular functions associated with blood stasis were nitric oxide synthase(NO synthase),and KEGG pathway,and the regulatory activity function.KEGG pathway enrichment analysis enriched three pathways,of which the pathway associated with blood stasis was the platelet activation pathway.The molecular docking results showed that TⅡA,CT,SAA and SAB were tightly bound to the targets p38 and ERK,and SAA,SAB and DⅠwere tightly bound to the target SRC.This study demonstrated that the active ingredients of Salvia miltiorrhiza could inhibit platelet aggregation through the targets p38,ERK and SRC to treat blood stasis syndrome.
作者
周迎晨
封彦飞
田诗旸
郭婷婷
边巴卓玛
刘迎秋
ZHOU Ying-chen;FENG Yan-fei;TIAN Shi-yang;GUO Ting-ting;BIANBA Zhuo-ma;LIU Ying-qiu(College of Veterinary Medicine,Northwest A&F University,Yangling,Shaanxi,712100,China;Institute of Traditional Chinese Veterinary Medicine,Northwest A&F University,Yangling,Shaanxi,712100,China)
出处
《动物医学进展》
北大核心
2025年第8期51-57,共7页
Progress In Veterinary Medicine
基金
陕西省农业关键核心技术攻关项目(2024NYGG005)。
关键词
网络药理学
分子对接
丹参
血淤证
Network pharmacology
Molecular docking
Salvia miltiorrhiza
Blood stasis syndrome
