药学学报, 2017, 52(1): 99-105
引用本文:
赵蕾, 武嫣斐, 高耀, 向欢, 秦雪梅, 田俊生. 基于网络药理学的百合地黄汤干预心理亚健康作用机制研究[J]. 药学学报, 2017, 52(1): 99-105.
ZHAO Lei, WU Yan-fei, GAO Yao, XIANG Huan, QIN Xue-mei, TIAN Jun-sheng. Intervention mechanism of psychological sub-health by Baihe Dihuang Tang based on network pharmacology[J]. Acta Pharmaceutica Sinica, 2017, 52(1): 99-105.

基于网络药理学的百合地黄汤干预心理亚健康作用机制研究
赵蕾1, 武嫣斐2, 高耀1, 向欢3, 秦雪梅1, 田俊生1
1. 山西大学中医药现代研究中心, 山西 太原 030006;
2. 山西医科大学第一医院, 山西 太原 030001;
3. 山西大学体育学院, 山西 太原 030006
摘要:
借助网络药理学技术预测并筛选百合地黄汤主要活性成分及其潜在靶点,探讨百合地黄汤对心理亚健康的多成分-多靶点-多通路干预作用机制。采用ADME/T计算方法筛选百合地黄汤的活性成分,依据中药系统药理学技术平台(TCMSP)、反向药效团匹配数据库(PharmMapper)和医学主题词表(Medical SubjectHeadings,缩写为MeSH)疾病分类预测和筛选百合地黄汤活性成分的作用靶点,并采用Sybyl中的Surflex-dock模块对靶标预测结果进行验证。采用Cytoscape软件构建百合地黄汤活性成分-靶点-疾病网络,通过ClueGO插件对靶点的基因功能以及涉及的代谢通路进行分析。结果显示在百合地黄汤中筛选出11个活性成分,共涉及神经和免疫等21个靶点,且活性成分与预测的靶点有较好的相互作用,预测的21个靶点主要参与了GABA信号转导、cAMP信号通路以及单胺转运等相关生物过程。结果表明百合地黄汤可能通过调控G-蛋白偶联受体活性和单胺类神经递质的表达发挥干预心理亚健康的作用,体现中药多成分、多靶点、多途径的作用特点,为阐释百合地黄汤干预心理亚健康的作用机制提供科学依据。
关键词:    网络药理学      百合地黄汤      心理亚健康      靶点      作用机制     
Intervention mechanism of psychological sub-health by Baihe Dihuang Tang based on network pharmacology
ZHAO Lei1, WU Yan-fei2, GAO Yao1, XIANG Huan3, QIN Xue-mei1, TIAN Jun-sheng1
1. Modern Research Center for Traditional Chinese Medicine, Shanxi University, Taiyuan 030006, China;
2. First Hospital of Shanxi Medical University, Taiyuan 030001, China;
3. Department of Physical Education, Shanxi University, Taiyuan 030006, China
Abstract:
This study was designed to screen the targets of bioactive ingredients of Baihe Dihuang Tang, and investigate the "multi-components, multi-targets and multi-pathways" intervention mechanism of Baihe Dihuang Tang on psychological sub-health. The ADME/T calculation method was used to screen the active ingredient of Baihe Dihuang Tang, and then using ADME/T calculation method to filtrate the active components of Baihe Dihuang Tang, then Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP), PharmMapper database and Medical Subject Headings (MeSH) were combined to forecast and filtrate the targets of the main active ingredients. In addition, the predicted targets were verified by the Surflex-dock in Sybyl. The Cytoscape software was used to construct the Baihe Dihuang Tang ingredients-targets-disease network, while ClueGO software was used to analyze the molecular function and biological process of the targets. There are total 11 active ingredients and 21 targets in Baihe Dihuang Tang. A good interaction between them was supported by the score. The 21 targets were mainly involved in gamma-aminobutyric acid signaling pathway, cAMP metabolic process and monoamine transport relevant biological processes. Thus, Baihe Dihuang Tang may play a role in the intervention of psychological sub-health by regulating the activity of G-protein coupled amine receptor and the expression of monoamine neurotransmitter, which reflects the features of traditional Chinese medicine multi-components, multi-targets and multi-pathways. This research provides evidences on the pharmacological mechanism of Baihe Dihuang Tang effect on psychological sub-health.
Key words:    network pharmacology    Baihe Dihuang Tang    psychological sub-health    target    mechanism   
收稿日期: 2016-06-08
DOI: 10.16438/j.0513-4870.2016-0558
基金项目: 国家自然科学基金资助项目(81441096);山西省卫生和计划生育委员会课题资助项目(2014ZY01).
通讯作者: 田俊生,Tel:86-351-7019297,Fax:86-351-7018379,E-mail:jstian@sxu.edu.cn
Email: jstian@sxu.edu.cn
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