基于网络药理学方法探讨杞蓉片治疗早发性卵巢功能不全的作用机制-《西部中医药》

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Title:: Network Pharmacology-based Discussion on the Mechanism of Treatment of Premature Ovarian Insufficiency by Qirong Tablets

作者:: 南楠¹, 杜小利^2,3; 1.宁夏医科大学，宁夏银川 750000
2.宁夏区域高发病中西医结合防治研究重点实验室，宁夏银川 750000
3.宁夏少数民族医药现代化教育部重点实验室，宁夏银川 750000

Author(s):: NAN Nan¹, DU Xiaoli^2,3; 1.Ningxia Medical University, Yinchuan 750000, China
2.Ningxia Regional Key Laboratory of Integrated Traditional Chinese and Western Medicine for Prevention and Treatment of Regional High Incidence Disease, Yinchuan 750000, China
3.Key Laboratory of Hui Ethnic Medicine Modernization, Ministry of Education, Ningxia Medical University, Yinchuan 750000, China

关键词:: 早发性卵巢功能不全; 杞蓉片; 网络药理学; 数据挖掘

Keywords:: premature ovarian insufficiency; tablets; network pharmacology; data mining

分类号:: R588.6

DOI:: 10.12174/j.issn.2096-9600.2024.04.13

文献标志码:: A

摘要:: 目的采用网络药理学方法探讨杞蓉片治疗早发性卵巢功能不全（premature ovarian insufficiency，POI）的作用机制。方法在中药药理学数据库与分析平台（traditional Chinese medicine systems pharmacology database and analysis platform，TCMSP）中获取杞蓉片的有效成分及相应靶点，同时查询人类基因数据库（Genecards）等数据库，获取疾病相关的靶点，并利用韦恩图（Venn）图与药物作用靶点取交集，筛选杞蓉片治疗POI的关键靶点。利用STRING平台建立预测靶蛋白之间的相互关系网络，根据联系密切程度筛选出核心靶标，用R语言进行核心靶标的基因本体论功能富集分析（gene ontology，GO）和京都基因与基因组百科全书富集分析（kyoto encyclopedia of genes and genomes，KEGG）。结果收集到符合筛选条件的杞蓉片活性成分102个，染料木素、槲皮素、芹菜素、β-谷固醇等化合物可能为其作用的主要活性成分，药物与POI共同靶点243个，其中肿瘤蛋白p53基因、丝氨酸/苏氨酸激酶1、转录激活因子3、肿瘤坏死因子、表皮生长因子受体、白细胞介素6在促分裂素原活化蛋白激酶、血管内皮生长因子为核心靶基因，通过KEGG通路分析显示，杞蓉片治疗POI的生物信号通路主要集中在磷脂酰肌醇3激酶和蛋白激酶B、缺氧诱导因子1等。分子对接结果显示大部分靶点与成分结合活性较强。结论杞蓉片通过多种成分、多核心靶点参与了一系列通路，通过发挥多种生物、分子过程来治疗POI。

Abstract:: ObjectiveTo discuss the mechanism of treating premature ovarian insufficiency (POI) by Qirong tablets using network pharmacology. MethodsActive ingredients and the corresponding targets of Qirong tablets were obtained from TCMSP, disease-related targets were obtained from Genecards, the intersection with the targets of drug action was taken utilizing Venn diagram, to screen the key targets of Qirong tablets for the treatment of POI. The network of interrelationships between predicted target proteins was established using STRING platform, and the core targets were screened according to the degree of closeness, GO and KEGG of the core targets were performed using R language. ResultsThe study collected 102 active ingredients of Qirong tablets that met the inclusion criteria and 243 shared targets of drug and POI, genistein, quercetin, apigenin and β-glutosterol may be the main active ingredients for the effects, TP53, serine/threonine kinase 1, signal transduction and transcription activator 3 (STAT3), tumor necrosis factor (TNF), epidermal growth factor receptor (EGFR), interleukin-6 (IL-6), mitogen-activated protein kinase (MAPK) and vascular endothelial growth factor (VEGF) are the core targets, KEGG pathway analysis shows that biological signaling pathways involved in the treatment of POI with Qirong tablets focus on phosphatidylinositol 3-kinase, protein kinase B and hypoxia-inducible factor 1. Molecular docking results display that most of the targets have strong binding to the components. ConclusionQirong tablets participate in a series of pathways via multiple components and multiple core targets, and it could treat POI by involving in multiple biological and molecular functions.

《西部中医药》[ISSN:2096-9600/CN:62-1204/R]

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