中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
首页 机构 成果 学者
  
  1. CAS IR Grid
  2. 上海药物研究所
  3. 中国科学院上海药物研究所
  4. 药物发现与设计中心
Deciphering the pharmacological mechanism of the Chinese formula Huanglian-Jie-Du decoction in the treatment of ischemic stroke using a systems biology-based strategy

文献类型：期刊论文

作者Zhang, Yan-qiong2; Wang, Song-song2,3; Zhu, Wei-liang1; Ma, Yan2; Zhang, Fang-bo2; Liang, Ri-xin2; Xu, Hai-yu2; Yang, Hong-jun2
刊名ACTA PHARMACOLOGICA SINICA
出版日期2015-06
卷号36期号:6页码:724-733
关键词Traditional Chinese Medicine Chinese herbal formula ischemic stroke Huanglian-Jie-Du decoction systems biology network pharmacology
ISSN号1671-4083
DOI10.1038/aps.2014.124
文献子类Article
英文摘要Aim: Huanglian-Jie-Du decoction (HLJDD) is an important multiherb remedy in TCM, which is recently demonstrated to be effective to treat ischemic stroke. Here, we aimed to investigate the pharmacological mechanisms of HLJDD in the treatment of ischemic stroke using systems biology approaches. Methods: Putative targets of HLJDD were predicted using MetaDrug. An interaction network of putative HLJDD targets and known therapeutic targets for the treatment of ischemic stroke was then constructed, and candidate HLJDD targets were identified by calculating topological features, including 'Degree', 'Node-betweenness', 'Closeness', and 'K-coreness'. The binding efficiencies of the candidate HLJDD targets with the corresponding compositive compounds were further validated by a molecular docking simulation. Results: A total of 809 putative targets were obtained for 168 compositive compounds in HLJDD. Additionally, 39 putative targets were common to all four herbs of HLJDD. Next, 49 major nodes were identified as candidate HLJDD targets due to their network topological importance. The enrichment analysis based on the Gene Ontology (GO) annotation system and the Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway demonstrated that candidate HLJDD targets were more frequently involved in G-protein-coupled receptor signaling pathways, neuroactive ligand-receptor interactions and gap junctions, which all played important roles in the progression of ischemic stroke. Finally, the molecular docking simulation showed that 170 pairs of chemical components and candidate HLJDD targets had strong binding efficiencies. Conclusion: This study has developed for the first time a comprehensive systems approach integrating drug target prediction, network analysis and molecular docking simulation to reveal the relationships between the herbs contained in HLJDD and their putative targets and ischemic stroke-related pathways.
WOS关键词NETWORK PHARMACOLOGY ; INTERACTION DATABASE ; HERBAL FORMULAS ; DIABETIC-RATS ; MEDICINE ; KNOWLEDGEBASE ; NEUROPROTECTION ; METAANALYSIS ; REPERFUSION ; EXPRESSION
资助项目Key Project of Chinese National Programs for Fundamental Research and Development (973 Program)[2014CB543003] ; Fundamental Research Funds for the Central Public Welfare Research Institutes[ZZ070831] ; Fundamental Research Funds for the Central Public Welfare Research Institutes[ZZ070819] ; Beijing Joint Project Specific Funds[00000000] ; Operational Expenses for Basic Research of China Academy of Chinese Medical Sciences[Z02063]
WOS研究方向Chemistry ; Pharmacology & Pharmacy
语种英语
CSCD记录号CSCD:5435758
WOS记录号WOS:000355840600010
出版者ACTA PHARMACOLOGICA SINICA
源URL[http://119.78.100.183/handle/2S10ELR8/276510]  
专题药物发现与设计中心
通讯作者Xu, Hai-yu
作者单位1.Chinese Acad Sci, Shanghai Inst Mat Med, Shanghai 201203, Peoples R China
2.China Acad Chinese Med Sci, Inst Chinese Mat Med, Beijing 100700, Peoples R China;
3.Capital Med Univ, Sch Tradit Chinese Med, Beijing 100069, Peoples R China;
推荐引用方式
GB/T 7714		 Zhang, Yan-qiong,Wang, Song-song,Zhu, Wei-liang,et al. Deciphering the pharmacological mechanism of the Chinese formula Huanglian-Jie-Du decoction in the treatment of ischemic stroke using a systems biology-based strategy[J]. ACTA PHARMACOLOGICA SINICA,2015,36(6):724-733.
APA Zhang, Yan-qiong.,Wang, Song-song.,Zhu, Wei-liang.,Ma, Yan.,Zhang, Fang-bo.,...&Yang, Hong-jun.(2015).Deciphering the pharmacological mechanism of the Chinese formula Huanglian-Jie-Du decoction in the treatment of ischemic stroke using a systems biology-based strategy.ACTA PHARMACOLOGICA SINICA,36(6),724-733.
MLA Zhang, Yan-qiong,et al."Deciphering the pharmacological mechanism of the Chinese formula Huanglian-Jie-Du decoction in the treatment of ischemic stroke using a systems biology-based strategy".ACTA PHARMACOLOGICA SINICA 36.6(2015):724-733.

入库方式： OAI收割

来源：上海药物研究所

浏览0
下载0
收藏0
其他版本

除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。