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基于网络药理学的方法研究百合地黄汤治疗围绝经期综合征的作用机制。

Study on the mechanism of Baihe Dihuang decoction in treating menopausal syndrome based on network pharmacology.

机构信息

School of Chinese Medicine, Jiangxi University of Traditional Chinese Medicine, Nanchang, P. R. China.

Department of Neurosurgery, Nanfang Hospital, Southern Medical University, Guangzhou, P. R. China.

出版信息

Medicine (Baltimore). 2023 May 19;102(20):e33189. doi: 10.1097/MD.0000000000033189.

Abstract

Menopausal syndrome (MS) refers to a series of symptoms with autonomic nervous system dysfunction caused by decreased sex hormones before and after menopause. Baihe Dihuang (BHDH) decoction positively affects MS, but its mechanism remains unclear. This study aimed to reveal the underlying mechanism through network pharmacology. The components of the BHDH Decoction were found through HERB, while corresponding targets were obtained from the HERB, Drug Bank, NPASS, Targetnet, and Swisstarget databases. The MS targets were obtained from GeneCards and OMIM. STRING was used to construct the protein-protein interaction networks. OmicShare tools were used for Gene Ontology and Kyoto encyclopedia of genes and genomes analyses. Finally, Autodock Vina 1.1.2 software (https://vina.scripps.edu/downloads/) was used for molecular alignment to verify whether the main active ingredients and key targets had good binding activity. We screened out 27 active ingredients and 251 effective targets of BHDH Decoction, 3405 MS-related targets, and 133 intersection targets between BHDH Decoction and MS. Protein-protein interaction network identified tumor protein P53, Serine/threonine-protein kinase AKT, epidermal growth factor receptor, Estrogen Receptor 1, and jun proto-oncogene as critical targets. Gene ontology analysis showed that these targets were mainly involved in the cellular response to chemical stimulus, response to oxygen-containing compound, cellular response to endogenous stimulus, response to an organic substance, and response to chemical, etc. Kyoto encyclopedia of genes and genomes pathways were mainly enriched in endocrine resistance, pathways in cancer, and the ErbB signaling pathway, etc. Molecular docking results showed that emodin and stigmasterol are strongly associated with Serine/threonine-protein kinase AKT, Estrogen Receptor 1, epidermal growth factor receptor, sarcoma gene, and tumor protein P53. This study preliminarily revealed the multi-component, multi-target, and multi-channel mechanism of BHDH Decoction in treating MS. It provides a reference for in vitro and in vivo research and clinical application of BHDH Decoction in the treatment of MS.

摘要

绝经综合征(MS)是指绝经前后因性激素减少引起自主神经系统功能障碍的一系列症状。百合地黄汤(BHDH)对 MS 有积极影响,但作用机制尚不清楚。本研究旨在通过网络药理学揭示其潜在机制。通过 HERB 查找 BHDH 汤的成分,同时从 HERB、Drug Bank、NPASS、Targetnet 和 Swisstarget 数据库中获取相应的靶点。MS 靶点从 GeneCards 和 OMIM 中获得。使用 STRING 构建蛋白质-蛋白质相互作用网络。使用 OmicShare 工具进行基因本体论和京都基因与基因组百科全书分析。最后,使用 Autodock Vina 1.1.2 软件(https://vina.scripps.edu/downloads/)进行分子对接,以验证主要活性成分和关键靶点是否具有良好的结合活性。我们筛选出 BHDH 汤的 27 种活性成分和 251 个有效靶点、3405 个 MS 相关靶点和 BHDH 汤与 MS 的 133 个交集靶点。蛋白质-蛋白质相互作用网络确定了肿瘤蛋白 P53、丝氨酸/苏氨酸蛋白激酶 AKT、表皮生长因子受体、雌激素受体 1 和 jun 原癌基因是关键靶点。基因本体论分析表明,这些靶点主要参与细胞对化学刺激的反应、对含氧量化合物的反应、细胞对内源性刺激的反应、对有机物质的反应和对化学物质的反应等。京都基因与基因组百科全书途径主要富集在内分泌抵抗、癌症途径和 ErbB 信号通路等。分子对接结果表明,大黄素和豆甾醇与丝氨酸/苏氨酸蛋白激酶 AKT、雌激素受体 1、表皮生长因子受体、肉瘤基因和肿瘤蛋白 P53 有很强的关联性。本研究初步揭示了 BHDH 汤治疗 MS 的多成分、多靶点、多途径机制。为 BHDH 汤治疗 MS 的体外和体内研究及临床应用提供了参考。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c5e/10194762/3adb32bb07ea/medi-102-e33189-g001.jpg

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