LSP - Lab of Systems Pharmacology | CSBL | 计算系统生物学
系统药理学原理、方法及应用研讨班 (第5期)开课了!

生命学院成功构建中药系统药理学数据库和分析平台


中药是多组分、多靶点及其组分间协同作用的复杂体系,因为其成分复杂,机制不清,系统庞大,开展深入研究难度极大,该现状已经严重制约了中药的现代发展脚步。近日,生命学院王永华教授课题组历时两年,成功构建了较完整的中药系统药理学数据库,首次将药效学、药动学、靶标预测以及网络、组学和系统分析综合起来,形成了可供深入分析和研究的平台技术。相关论文 "TCMSP: a database of systemspharmacology for drug discovery from herbal medicines" [1] 发表在《Journal of Cheminformatics》上 (http://www.jcheminf.com/content/6/1/13/)。


该数据库搜集了中药药典囊括的全部499个草药以及每个草药已经报道的化合物(共计29000余个),针对每个化合物提供了较全面的ADME性质评价数据,主要包括:口服生物利用度、类药性、小肠上皮通透性、血脑屏障、药物半衰期、溶解度、药物五原则等成药性数据。同时,获取了潜在活性分子的靶标及其疾病信息,形成了针对每味草药的drug-target, drug-disease 网络。该数据库为从系统水平阐明中药靶标、研究中药作用机理、发现中药活性物质、老方优化和新复方配伍提供了基础,为现代中药研究带来了新的方法。


目前,基于该数据库,团队已发表十余篇研究论文,深入揭示了复方配伍理论[2]、中医药基础理论如:心血管疾病中医分型[3]补气补血的生物学本质[4]中药相须机制[5],以及开展了复方解析[6, 7]新方配伍研究[6, 8]以及中药作用机制研究[9,10],详细阐释了基于系统药理学技术的现代中药研究新思路。


为了方便读者的使用,促进新药开发研究[11],未来团队将增加药物作用模式,器官归属,疾病分类归属以及中药复方新组合等数据。


TCMSP 网站:/tcmsp.php

原文链接:http://sm.nwsuaf.edu.cn/2013/show.php?articleid=5981


相关发表论文:

1. Ru J, Li P, Wang J, Zhou W, Li B,Huang C, Li P, Guo Z, Tao W, Yang Y, Xu X, Li Y, Wang Y*, Yang L. TCMSP: a database of systems pharmacology for drug discovery from herbal medicines.  Journalof Cheminformatics, 2014 Apr 16; 6(1):13.

2. Yao Y, Zhang X, Wang Z, Zheng C, LiP, Huang C, Tao W, Xiao W, Wang Y*,HuangL, Yang L, Deciphering the combination principles of Traditional Chinese Medicine from a Systems Pharmacology perspective. J Ethnopharmacol, 2013, Nov 25,150(2):619-38.

3. Zhou W, Wang Y*. A network-based analysis of the types of coronary artery disease from traditional Chinese medicine perspective: Potential for therapeutics and drug discovery. Journal of Ethnopharmacology, 2013.

4. Liu J, Pei M, Zheng C, Li Y, Wang Y*, Lu A, Yang L. A systems-pharmacology analysis of herbal medicines used in health improvement treatment: predicting potential new drugs and targets. Evidence-Based Complementary and Alternative Medicine, 2013. in press.

5. Wang X, Xu X, Li Y, Li X, Tao W, LiB, Wang Y*, Yang L, Systems pharmacology uncovers Janus functions of botanical drugs: activation of host defense system and inhibition of influenza virus replication. Integrative Biology. 2013Jan 28;5(2):351-71.

6. Li P, Chen J, Wang J, Zhou W, WangX, Li B, Tao W, Wang W, Wang Y*,Yang L. Systems pharmacology strategies for Drug Discovery and Combination with applications to cardiovascular diseases. Journal of Ethnopharmacology, 2013,inpress.

7. Li B, Xu X, Wang X, Yu H, Li X, Tao W, Wang Y*, Yang L, Asystems biology approach to understanding the mechanisms of action of Chinese herbs for treatment of cardiovascular disease. Int. J. Mol. Sci. 2012Oct19;13(10):13501-20.

8. Tao W, Xu X, Wang X, Li B, Wang Y*, Li Y, Yang L, Network pharmacology-based prediction of the active ingredients and potential targets of Chinese herbal Radix Curcumae formula for application to cardiovascular disease.Journal of Ethnopharmacology, 2013, 145(1):1-10.

9. Huang C, Zheng C, Li Y, Wang Y*, Lu A, Yang L, Systems Pharmacology in Drug Discovery and Therapeutic Insight for Herbal Medicines.Briefings in Bioinformatics, 2013, in press.

10. Liu H, Wang J, Zhou W, Wang Y*, Yang L, Systems Approaches and Polypharmacology for Drug Discovery from Herbal Medicines: An Example UsingLicorice. Journal of Ethnopharmacology, 2013 Apr 19;146(3):773-93.

11. Zheng C, Wang J, Liu J, Pei M, HuangC, Wang Y*. Systems-level Multi-target Drug Discovery from Natural Products with Applications to Cardiovascular Diseases. Molecular Diversity,2014. In press.


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