摘要
采用网络药理学与分子对接方法探讨核桃仁中活性成分预防动脉硬化性心血管疾病(ASCVD)的作用机制。通过TCMSP筛选得到34种核桃仁主要活性成分,并利用SwissTargetPrediction数据库预测其潜在靶点,用Genecards、OMIM及DRUGBANK数据库筛选ASCVD相关靶点。利用STRING数据库以及Cytoscape软件建立蛋白-蛋白互作(PPI)网络图提取核心靶点。运用Metascape数据库对潜在靶点进行GO富集及KEGG通路分析。富集分析发现,核桃仁可调节PPAR信号通路、粘附连接、血小板活化、脂肪细胞中脂解的调节等信号通路来发挥作用。通过分子对接技术验证了关键成分(槲皮素、杨梅素、鞣花酸、山萘酚)与核心靶标(AKT1、EGFR、SRC、CCND1、ERBB2)具有较好的结合活性。结果表明,核桃仁可能通过调控细胞增殖与炎症反应参与发挥延缓ASCVD的作用。
In this study,network pharmacology and molecular docking methods were used to explore the mechanism of components in walnut kernels in preventing atherosclerotic cardiovascular disease(ASCVD).Thirty-four main active components of walnut kernels were screened by TCMSP and their potential targets were predicted using the SwissTargetPrediction database.ASCVD-related targets were screened by the Genecards,OMIM and DRUGBANK databases.The STRING database and Cytoscape software were used to build a protein-protein interaction(PPI)network map to extract core targets.GO enrichment and KEGG pathway analysis of potential targets were performed using Metascape database.The enrichment analysis found that walnut kernel could play a role in regulating PPAR signaling pathway,adhesion junction,platelet activation,regulation of lipolysis in adipocytes and other signaling pathways.Molecular docking technology verified that the key components(quercetin,myricetin,ellagic acid,kaempferol)had good binding activity to core targets(AKT1,EGFR,SRC,CCND1,ERBB2).This study showed that walnut kernel might play a role in delaying ASCVD by regulating cell proliferation and inflammatory response.
作者
徐子悟
惠佳如
吴细文
邓晓磊
孟蕾
XU Zi-wu;HUI Jia-ru;WU Xi-wen;DENG Xiao-lei;MENG Lei(School of Pharmacy,Hunan University of Traditional Chinese Medicine,Changsha,Hunan 410208,China)
出处
《粮油食品科技》
CAS
2022年第6期103-113,共11页
Science and Technology of Cereals,Oils and Foods
基金
长沙市自然科学基金(kq2014085)
湖南省中医药管理局(2021065)
湖南省教育厅科研课题(20C1408)
湖南中医药大学生物工程重点学科资助项目(校行科字【2018】3号)
大学生创新创业资助项目(S202210541057X)。
作者简介
徐子悟,男,2000年出生,在读本科生,研究方向为细胞生物学。E-mail:Xzw630790004@outlook.com;通讯作者:孟蕾,女,1981年出生,博士,讲师,研究方向为中药细胞与分子生物学研究。E-mail:menglei0901@126.com.
