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基于网络药理学和分子对接技术探讨圣济益肾汤治疗肌萎缩侧索硬化症的作用机制。

Explore the pharmacological basis of ShengJiYiSui decoction in the treatment of amyotrophic lateral sclerosis based on network pharmacology and molecular docking technology.

机构信息

Department of Neurology, First Clinical Medical College of Jinan University, Guangzhou, 510632, China.

Department of Pediatrics, the First Affiliated Hospital of Bengbu Medical College, Bengbu, 233004, China.

出版信息

Cell Mol Biol (Noisy-le-grand). 2023 Dec 10;69(13):156-161. doi: 10.14715/cmb/2023.69.13.24.

Abstract

Neurodegenerative illnesses have long been handled clinically by traditional Chinese medicine. This study is the first time to explore the pharmacological basis of application in amyotrophic lateral sclerosis (ALS) through network pharmacology and molecular docking techniques. In the present investigation, the TCMSP database and HIT2 database were examined for 9 TCM constituents of Sheng Ji Yu Sui Decoction (SJYSD), and the desired sites for the components were searched in the Drugbank database. and the Sjysd-target network was constructed. Associated targets for Amyotrophic lateral sclerosis (ALS) were then retrieved and collected in the OMIM, TTD, Genecards and DisGeNET databases. Protein-protein interaction and enrichment analysis were performed for the common targets of drugs and diseases, and molecular anchoring for the chosen core targets and related molecules was carried out. The results showed that SJYSD had 100 active compounds corresponding to 598 targets. ALS has a total of 5,325 genes. SJYSD and ALS share 163 genes, and these targets involve PI3K-AKT signaling, p53 signaling and IL-17 signaling, etc. The core components of luteolin and quercetin were discovered and may be used to treat ALS by regulating PI3K-AKT signaling pathway by HSP90AB1 protein.

摘要

神经退行性疾病在临床上一直被中医药治疗。本研究首次通过网络药理学和分子对接技术,探讨了应用于肌萎缩侧索硬化症(ALS)的药理学基础。在本研究中,我们检查了 TCMSP 数据库和 HIT2 数据库中 9 种生肌玉髓汤(SJYSD)的中药成分,并在 Drugbank 数据库中搜索了成分的所需部位。并构建了 Sjysd-靶网络。然后在 OMIM、TTD、Genecards 和 DisGeNET 数据库中检索并收集与肌萎缩侧索硬化症(ALS)相关的靶点。对药物和疾病的共同靶点进行蛋白质-蛋白质相互作用和富集分析,并对选定的核心靶点和相关分子进行分子锚定。结果表明,SJYSD 有 100 种活性化合物,对应 598 个靶点。ALS 共有 5325 个基因。SJYSD 和 ALS 共有 163 个基因,这些靶点涉及 PI3K-AKT 信号通路、p53 信号通路和 IL-17 信号通路等。发现了木犀草素和槲皮素的核心成分,可能通过 HSP90AB1 蛋白调节 PI3K-AKT 信号通路来治疗 ALS。

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