食品工业科技2024，Vol.45Issue(6)：1-11,11.DOI:10.13386/j.issn1002-0306.2023060160
基于网络药理学与分子对接探讨沙棘抗肥胖作用机制
Exploring the Mechanism of Hippophae Fructus Anti-obesity through Network Pharmacology and Molecular Docking
摘要
Abstract
Objective:To investigate the active components,protein targets,and mechanisms underlying the anti-obesity effects of Hippophae fructus using network pharmacology and molecular docking techniques,and to validate its in vitro anti-obesity efficacy.Methods:The TCMSP platform was utilized to retrieve the active components and targets of Hippophae fructus,and disease targets were collected.Venny 2.0.2 was used to identify the intersection of targets between Hippophae fructus and obesity-related targets.The STRING database was used to establish a drug-target-disease protein interaction(PPI)network.The intersecting targets were analyzed using the David database to perform GO enrichment analysis and KEGG pathway analysis.Cytoscape 3.9.1 was used to construct a network diagram of the components of Hippophae fructus,anti-obesity targets,and related signaling pathways.Autodock Dock 1.5.7 and Pymol 2.2.0 were used to carry out molecular docking between the core targets of Hippophae fructus and its components,followed by visualization.The in vitro anti-obesity effect of Hippophae fructus extract was evaluated through cell experiments using 3T3-L1 cells.Results:A total of 33 active components,2820 disease targets,and 151 intersection targets of Hippophae fructus were identified.The main active components included flavonoids,vitamins,and sterols,while key targets involved AKT1,TNF,IL6,TP53,VEGFA,CASP3,and others.KEGG pathway enrichment analysis revealed 131 signaling pathways,including those related to malignant tumors,lipid and atherosclerosis,and AGE-RAGE signaling.Molecular docking results demonstrated favorable binding interactions between the core targets and the corresponding active components of Hippophae fructus.The in vitro experiments indicated that Hippophae fructus extract exhibited inhibitory effects on the proliferation of 3T3-L1 pre-adipocytes.Conclusion:This study reveals that Hippophae fructus exerts anti-obesity effects through multiple components,targets,and pathways,providing valuable insights for its clinical research and product development.关键词
沙棘/抗肥胖/网络药理/分子对接/3T3-L1细胞Key words
Hippophae fructus/anti-obesity/network pharmacology/molecular docking/3T3-L1 cells分类
医药卫生引用本文复制引用
陆梦柯,王梓琴,张春,王菲,陈志玺,王亚妮,TANG Mengze,刘蕊,唐旭东..基于网络药理学与分子对接探讨沙棘抗肥胖作用机制[J].食品工业科技,2024,45(6):1-11,11.基金项目
深圳市出站博士后科研资助(2021年第三批) （2021年第三批）
深圳市中央引导地方发展专项(2022). （2022）
