基于网络药理学和分子对接分析黄芪甲苷治疗心血管疾病的作用机制
Analysis of the Mechanism of Astragaloside Ⅳ in the Treatment of Cardiovascular Diseases Based on Network Pharmacology and Molecular Docking
司旭鹏 1裴龙英 1房丹丹 1龙甜甜 1濮希蕾 1方贵平 1赵咪 1张苏 1崔秀文1
作者信息
- 1. 新疆理工学院 食品科学与工程学院,新疆 阿克苏 843100
- 折叠
摘要
运用网络药理学和分子对接技术研究黄芪甲苷(AS-Ⅳ)在心血管疾病(CVD)治疗中的作用机制.筛选AS-Ⅳ和CVD靶点,进行蛋白与蛋白互作(PPI)分析,构建AS-Ⅳ治疗CVD的靶点-通路网络,并使用KEGG PATHWAY数据库分析PI3K(磷脂酰肌醇 3-激酶)-AKT(丝苏氨酸蛋白激酶)信号通路.筛选得到 57 个交集靶点,分析得出 471 个GO条目,涉及信号传导、细胞凋亡等.KEGG通路筛选出 105 条,包括PI3K-AKT、表皮生长因子受体(EGFR)等.排名前 5 的靶点为AKT1、EGFR、原癌基因酪氨酸蛋白激酶(SRC)、血管内皮生长因子A(VEGFA)和信号转导及转录激活子 3(STAT3).分子对接结果表明,AS-Ⅳ与这些关键受体有较好的结合力,显示AS-Ⅳ在多靶点、多通路治疗心血管疾病方面具有潜在作用.
Abstract
The mechanism of astragaloside Ⅳ(AS-Ⅳ)in the treatment of cardiovascular disease(CVD)is studied by network pharmacology and molecular docking technology.AS-Ⅳ and CVD targets are screened for protein-protein interaction(PPI)analysis,and a target-pathway network for AS-Ⅳ treatment of CVD is constructed.The KEGG PATHWAY database is used to analyze the PI3K(phosphoinositide 3-kinase)-AKT(serine-threonine kinase)signaling pathway.A total of 57 intersection targets are screened,and 471 GO entries are obtained,involving signal transduction,apoptosis,etc.A total of 105 KEGG pathways are screened out,including PI3K-AKT,endothelial growth factor receptor(EGFR),etc.The top 5 targets are AKT1,EGFR,sarcoma(SRC),vascular endothelial growth factor A(VEGFA)and signal transducer and activator of transcription 3(STAT3).The results of molecular docking showed that AS-Ⅳ has a good binding force with these key receptors,indicating that AS-Ⅳ has a potential role in multi-target and multi-pathway treatment of cardiovascular diseases.
关键词
黄芪甲苷/PI3K-AKT信号通路/网络药理学/分子对接Key words
astragaloside Ⅳ/PI3K-AKT signal pathway/network pharmacology/molecular docking引用本文复制引用
出版年
2024
NETL
NSTL
维普
万方数据