Shandong University of Traditional Chinese Medicine, Jinan, China.
Affiliated Hospital of Shandong University of Traditional Chinese Medicine, Jinan, China.
Medicine (Baltimore). 2023 Feb 3;102(5):e32523. doi: 10.1097/MD.0000000000032523.
Multiple system atrophy (MSA) is a fatal neurodegenerative disease, it causes functional degradation of multiple organs and systems throughout the body. Astragalus membranaceus (AM), a well-known traditional Chinese medicine, has been used to improve muscle wasting-related disorders for a long history. In this study, we used network pharmacology and molecular docking to predict the mechanism underlying AM for the treatment of MSA. We screened the active compounds of AM and its related targets, as well as the target proteins of MSA. We made a Venn diagram to obtain the intersecting targets and then constructed a protein-protein interaction network to find the core targets and build an active ingredient-target network map. After subjecting the intersecting targets to gene ontology and Kyoto encyclopedia of genes and genomes analysis, the binding ability of core compounds and core target proteins were validated by molecular docking. A total of 20 eligible compounds and 274 intersecting targets were obtained. The core components of treatment are quercetin, kaempferol, and isorhamnetin, and the core targets are TP53, RELA, and TNF. The main biological processes are related to cellular responses and regulation. Molecular functions are mainly associated with apoptosis, inflammation, and tumorigenesis. Molecular docking results show good and standard binding abilities. This study illustrates that AM treats MSA through multiple targets and pathways, and provides a reference for subsequent research.
多系统萎缩（MSA）是一种致命的神经退行性疾病，它会导致全身多个器官和系统的功能退化。黄芪（AM）是一种著名的中药，长期以来一直被用于改善与肌肉消耗相关的疾病。在这项研究中，我们使用网络药理学和分子对接来预测 AM 治疗 MSA 的机制。我们筛选了 AM 的活性化合物及其相关靶点，以及 MSA 的靶蛋白。我们制作了一个 Venn 图来获得相交的靶点，然后构建了一个蛋白质-蛋白质相互作用网络来寻找核心靶点并构建一个活性成分-靶标网络图。对相交的靶点进行基因本体和京都基因与基因组百科全书分析后，通过分子对接验证了核心化合物和核心靶蛋白的结合能力。共获得 20 个合格化合物和 274 个相交靶点。治疗的核心成分是槲皮素、山柰酚和异鼠李素，核心靶点是 TP53、RELA 和 TNF。主要的生物过程与细胞反应和调节有关。分子功能主要与凋亡、炎症和肿瘤发生有关。分子对接结果显示出良好的和标准的结合能力。本研究表明，AM 通过多个靶点和途径治疗 MSA，为后续研究提供了参考。
