药学学报, 2019, 54(5): 877-885
引用本文:
庄莉, 翟园园, 姚卫峰, 徐佳, 冯丽, 包贝华, 曹雨诞, 张丽, 丁安伟. 基于网络药理学的二至丸对肾脏保护作用的机制研究[J]. 药学学报, 2019, 54(5): 877-885.
ZHUANG Li, ZHAI Yuan-yuan, YAO Wei-feng, XU Jia, FENG Li, BAO Bei-hua, CAO Yu-dan, ZHANG Li, DING An-wei. The mechanism study of protecting kidney of Erzhi Pill based on network pharmacology[J]. Acta Pharmaceutica Sinica, 2019, 54(5): 877-885.

基于网络药理学的二至丸对肾脏保护作用的机制研究
庄莉1, 翟园园1,2, 姚卫峰1,2, 徐佳1,2, 冯丽1,2, 包贝华1,2, 曹雨诞1,2, 张丽1,2, 丁安伟1,2
1. 南京中医药大学药学院, 江苏 南京 210023;
2. 南京中医药大学江苏省方剂高技术研究重点实验室/江苏省中药资源产业化过程协同创新中心, 江苏 南京 210023
摘要:
采用网络药理学方法,基于反向药效团匹配的靶标识别服务平台,预测已有文献报道的二至丸保护肾脏药效成分的靶点,采用分子对接对靶点基因进行筛选分析,通过生物学信息注释数据库(DAVID)对靶点基因进行生物学过程及代谢通路分析,采用Cytoscape软件构建二至丸保护肾脏"成分-靶点-通路"网络。通过将上述靶点与疾病靶点数据库TTD和GAD筛选得到的肾损伤相关靶点进行比对筛选,进一步构建"成分-核心靶点"网络。结果显示,二至丸中17个保护肾脏的活性成分可能通过调控ESR1、ESR2、GCK和MMP3等32个靶标,干预PI3K-Akt信号通路、雌激素信号通路和嘌呤代谢过程等6条途径起到保护肾脏的作用。本研究体现了中药多成分、多靶点和多途径的作用特点,为复方二至丸保护肾脏作用机制的解释提供新的思路和线索。
关键词:    网络药理学      分子对接      二至丸      女贞子      墨旱莲      保护肾脏     
The mechanism study of protecting kidney of Erzhi Pill based on network pharmacology
ZHUANG Li1, ZHAI Yuan-yuan1,2, YAO Wei-feng1,2, XU Jia1,2, FENG Li1,2, BAO Bei-hua1,2, CAO Yu-dan1,2, ZHANG Li1,2, DING An-wei1,2
1. School of Pharmacy, Nanjing University of Chinese Medicine, Nanjing 210023, China;
2. Jiangsu Key Laboratory for High Technology Research of TCM Formulae and Jiangsu Collaborative Innovation Center of Chinese Medicinal Resources Industrialization, Nanjing University of Chinese Medicine, Nanjing 210023, China
Abstract:
Based on the concept of network pharmacology, the main nephroprotective components in Erzhi Pill reported in previous studies, were used to predict the targets through the PharmMapper method. Molecular docking was applied to screen for potential targets and biological information annotation databases (DAVID) was used to analyze the molecular function and biological process of the action targets. The Cytoscape software was used to construct the "ingredient-target-pathway" network of Erzhi Pill for renal injury treatment. TTD and GAD database were then applied to screen for the targets of renal disease for building "ingredient-core target" network. We found that 17 major active ingredients of Erzhi Pill regulated 32 targets (including ESR1, ESR2, GCK, MMP3) and affected 6 pathways, such as PI3K-Akt signaling pathway, estrogen signaling pathway and purine metabolism. This study reflected the nature of traditional Chinese medicine as multi-ingredients, multi-targets and multi-path ways, providing new clues for basic science research on the nephroprotective pharmacological mechanism of Erzhi Pill.
Key words:    network pharmacology    molecular docking    Erzhi Pill    Nvzhenzi    Mohanlian    protection of kidney   
收稿日期: 2018-11-01
DOI: 10.16438/j.0513-4870.2018-0993
基金项目: 国家自然科学基金面上项目(81573554);江苏高校"青蓝工程"资助项目;江苏省"六大人才高峰"高层次人才项目(2016-YY026);江苏省高等学校大学生创新创业训练计划(201810315068Y);南京中医药大学大学生创新训练计划资助.
通讯作者: 姚卫峰,Tel:86-25-85811053,E-mail:yaowf@njucm.edu.cn
Email: yaowf@njucm.edu.cn
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