文献类型：期刊文献

中文题名：基于网络药理学与分子对接探讨沙棘抗肥胖作用机制

英文题名：Exploring the Mechanism of Hippophae Fructus Anti-obesity through Network Pharmacology and Molecular Docking

作者：Mengke, Lu[1]; Ziqin, Wang[1]; Chun, Zhang[1]; Fei, Wang[1]; Zhixi, Chen[2]; Yani, Wang[2]; Mengze, Tang[3]; Rui, Liu[4,5]; Xudong, Tang[1,4,5]

第一作者：Mengke, Lu

机构：[1] College of Pharmacy, Gansu University of Chinese Medicine, Lanzhou, 730000, China; [2] Gannon Biotechnology Co., Ltd., Qingyang, 745600, China; [3] Boston University, MA, 02215, United States; [4] Key Laboratory of Innovative Traditional Chinese Medicine and Natural Medicine, Research Institute of Tsinghua University, Shenzhen, 518000, China; [5] Guangdong Innovative Traditional Chinese Medicine, Natural Medicine Research Engineering Center, Shenzhen, 518000, China

第一机构：甘肃中医药大学药学院（西北中藏药协同创新中心办公室）

年份：2024

卷号：45

期号：6

起止页码：1

外文期刊名：Science and Technology of Food Industry

收录：EI(收录号：20241115746295)

语种：中文

外文关键词：Binding energy - Clinical research - Molecular modeling - Nutrition - Signaling

摘要：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. ? 2024 Editorial Department of Science and Technology of Food Science. All rights reserved.