摘要： 目的 基于网络药理学和分子对接研究明目地黄丸治疗糖尿病视网膜病变的分子机制。方法 通过中药系统药理学分析平台(TCMSP) 查询明目地黄丸组方中药材化学成分及靶点。通过基因表达数据库(GEO) 以"Diabetic Retinopathy" 为关键词下载基因芯片信息。采用Cytoscape软件、STRING数据库和相关R语言包进行相关分析, 并对核心基因进行分子对接。采用高糖/低氧环境培养ARPE-19构建体外模型验证核心通路的表达。结果 筛选得到明目地黄丸43个主要活性成分,14个核心作用靶点;分子对接结果显示, 核心蛋白RB1、AKT1与小分子Quercetin、luteolin、naringenin能形成稳定的对接模型。Western blotting结果显示, 高剂量组p-PI3k和p-AKT蛋白表达明显低于中剂量、低剂量和空白对照组。结论 明目地黄丸可通过调控多通路、多靶点干预糖尿病视网膜病变患者病情进展, 其中PI3K/AKT信号通路是参与疾病治疗的重要信号通路。

基于网络药理学和分子对接研究明目地黄丸治疗糖尿病视网膜病变的分子机制

常迪¹, 徐晓鹤²

1. 中国医科大学附属第一医院药学部配液中心, 沈阳 110001;
2. 中国医科大学附属盛京医院眼科, 沈阳 110004

收稿日期:2021-10-22出版日期:2022-08-30发布日期:2022-07-19
通讯作者:常迪E-mail:42832923@qq.com
作者简介:常迪（1983-），女，护师，本科.
基金资助:辽宁省博士科研启动基金（2019-BS-293）


关键词: 网络药理学, 分子对接, 明目地黄丸, 糖尿病视网膜病变
Abstract: Objective To investigate the molecular mechanism of Mingmu Dihuang Pills in the treatment of diabetic retinopathy based on network pharmacology and molecular docking. Methods The chemical components and targets of Chinese medicinal materials in Mingmu Dihuang Pills were investigated using the Traditional Chinese Medicine System Pharmacology Database and Analysis Platform. Gene chip information was obtained from the Gene Expression Omnibus database with the keyword"Diabetic Retinopathy". Molecular docking of core genes and further analyses were performed using the Cytoscape software, STRING database, and R language related packages. ARPE-19 cells were cultured in a high-sugar/low-oxygen environment to construct an in vitro model to verify the expression of the core pathway. Results Forty-three main active ingredients of Mingmu Dihuang Pills were screened, and 14 core targets were obtained. The molecular docking results showed that core proteins RB1 and AKT1 and small molecules quercetin, luteolin, and naringenin could form a stable docking model. Western blotting results showed that the expression of p-PI3k and p-AKT proteins was significantly lower in the high-dose group than that in the middle-dose, low-dose, and blank control groups. Conclusion Mingmu Dihuang Pills can intervene in the progression of diabetic retinopathy by regulating multiple pathways and targets, and the PI3K/AKT signaling pathway is an important signaling pathway involved in the treatment of the disease.
Key words: network pharmacology, molecular docking, Mingmu Dihuang Pills, diabetic retinopathy
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