首页|基于网络药理学和分子对接预测红花绿绒蒿活性成分抗肝纤维化的作用机制

基于网络药理学和分子对接预测红花绿绒蒿活性成分抗肝纤维化的作用机制

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目的 运用网络药理学和分子对接技术,研究红花绿绒蒿抗肝纤维化的作用机制。方法 通过TCMSP、SwissTarget和PubChem数据库获取红花绿绒蒿的主要有效成分及作用靶点,从GeneCards和OMIM数据库获取肝纤维化相关疾病靶点,然后利用Venny2。1获取两者交集的共同靶点,将其导入STRING数据库构建共同靶点的蛋白互相作用网络,应用Cytoscape3。6。1软件构建"成分-靶点-疾病"通路网络。最后采用AutoDocktools(v1。5。6)将核心成分与关键靶点进行分子对接验证。结果 获取117个有效成分的作用靶点与6 423个疾病靶点,两者取交集后共获得251个交集靶点;GO与KEGG富集分析显示红花绿绒蒿有效成分可能参与AGE-RAGE、化学致癌-受体激活、PI3K-AKT等信号通路来逆转肝纤维化;分子对接显示,红花绿绒蒿核心成分与关键靶点SRC、HSP9OAA1、MAPK 1和MAPK3具有较好的结合能。结论 红花绿绒蒿可能作用于SRC、HSP9OAA1、MAPK1和MAPK3等关键靶点,通过AGE-RAGE、脂质与动脉粥样硬化、化学致癌-受体激活和PI3K-AKT等信号通路来发挥抗肝纤维化作用。
Prediction of the anti-hepatic fibrosis mechanism of the active components of Meconopsis punicea Maxim based on network pharmacology and molecular docking
Objective To study the mechanism of Meconopsis punicea Maxim against hepatic fibrosis by using network pharmacology and molecular docking techniques.Methods The main active components and targets of Meconopsis punicea Maxim were obtained from TCMSP,SwissTarget and PubChem databases,the targets of hepatic fibrosis related diseases were obtained from GeneCards and OMIM databases,and then the intersection common targets were obtained by Venny2.1.The protein interaction network of common target was constructed by importing it into STRING database.The"component-target-disease"pathway network was constructed by using Cytoscape3.6.1 software.Finally,AutoDocktools(v1.5.6)was used to verify the molecular docking between core components and key targets.Results A total of 117 active ingredient targets and 6 423 disease targets were obtained,and a total of 251 targets were obtained after intersecting the two.GO and KEGG pathway enrichment analysis showed that the active ingredients of Meconopsis punicea Maxim may be involved in AGE-RAGE,chemoattractant-receptor activation,PI3K-AKT and other signaling pathways to reverse hepatic fibrosis.The molecular docking showed that the core components of Meconopsis punicea Max-im had good binding capacity to the key targets such as SRC,HSP9OAA1,MAPK1 and MAPK3.Conclusion Meconopsis punicea Maxim may act on key targets such as SRC,HSP9OAA1,MAPK1 and MAPK3 to exert anti-hepatic fibrosis effects through AGE-RAGE,lipid and atherosclerosis,chemoattractant-receptor activa-tion,PI3K-AKT and other signaling pathways.

Meconopsis punicea MaximHepatic fibrosisMechanism of actionNetwork phar-macologyMolecular docking

娘格才让、索朗拉宗、卓玛措毛、格拉措、才让南加

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西藏藏医药大学,西藏拉萨 850000

红花绿绒蒿 肝纤维化 作用机制 网络药理学 分子对接

博士点培育建设项目(2022)博士点建设研究生创新项目(2023)藏医药管理局局级科研课题及标准化研究项目(2023)

BSDJS-22-13BSDJS-YS-20230332023JJKT0021

2024

现代医药卫生
重庆市卫生信息中心

现代医药卫生

影响因子:0.758
ISSN:1009-5519
年,卷(期):2024.40(6)
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