title: TCMSP: a database of systems pharmacology for drug discovery from herbal medicines.
abstract: BACKGROUND
  Modern medicine often clashes with traditional medicine such as Chinese herbal medicine because of the little understanding of the underlying mechanisms of action of the herbs. In an effort to promote integration of both sides and to accelerate the drug discovery from herbal medicines, an efficient systems pharmacology platform that represents ideal information convergence of pharmacochemistry, ADME properties, drug-likeness, drug targets, associated diseases and interaction networks, are urgently needed.
  
  
  METHODS
  The traditional Chinese medicine systems pharmacology database and analysis platform (TCMSP) was built based on the framework of systems pharmacology for herbal medicines. It consists of all the 499 Chinese herbs registered in the Chinese pharmacopoeia with 29,384 ingredients, 3,311 targets and 837 associated diseases. Twelve important ADME-related properties like human oral bioavailability, half-life, drug-likeness, Caco-2 permeability, blood-brain barrier and Lipinski's rule of five are provided for drug screening and evaluation. TCMSP also provides drug targets and diseases of each active compound, which can automatically establish the compound-target and target-disease networks that let users view and analyze the drug action mechanisms. It is designed to fuel the development of herbal medicines and to promote integration of modern medicine and traditional medicine for drug discovery and development.
  
  
  CONCLUSIONS
  The particular strengths of TCMSP are the composition of the large number of herbal entries, and the ability to identify drug-target networks and drug-disease networks, which will help revealing the mechanisms of action of Chinese herbs, uncovering the nature of TCM theory and developing new herb-oriented drugs. TCMSP is freely available at http://sm.nwsuaf.edu.cn/lsp/tcmsp.php.
authors.affiliation: Center for Bioinformatics, College of Life Science, Northwest A&F University, Yangling, Shaanxi 712100, China.
authors.forename: Jinlong
authors.initials: J
authors.lastname: Ru
authors.affiliation: Center for Bioinformatics, College of Life Science, Northwest A&F University, Yangling, Shaanxi 712100, China.
authors.forename: Peng
authors.initials: P
authors.lastname: Li
authors.affiliation: Center for Bioinformatics, College of Life Science, Northwest A&F University, Yangling, Shaanxi 712100, China.
authors.forename: Jinan
authors.initials: J
authors.lastname: Wang
authors.affiliation: Center for Bioinformatics, College of Life Science, Northwest A&F University, Yangling, Shaanxi 712100, China.
authors.forename: Wei
authors.initials: W
authors.lastname: Zhou
authors.affiliation: Center for Bioinformatics, College of Life Science, Northwest A&F University, Yangling, Shaanxi 712100, China.
authors.forename: Bohui
authors.initials: B
authors.lastname: Li
authors.affiliation: Center for Bioinformatics, College of Life Science, Northwest A&F University, Yangling, Shaanxi 712100, China.
authors.forename: Chao
authors.initials: C
authors.lastname: Huang
authors.affiliation: Center for Bioinformatics, College of Life Science, Northwest A&F University, Yangling, Shaanxi 712100, China.
authors.forename: Pidong
authors.initials: P
authors.lastname: Li
authors.affiliation: Center for Bioinformatics, College of Life Science, Northwest A&F University, Yangling, Shaanxi 712100, China.
authors.forename: Zihu
authors.initials: Z
authors.lastname: Guo
authors.affiliation: Center for Bioinformatics, College of Life Science, Northwest A&F University, Yangling, Shaanxi 712100, China.
authors.forename: Weiyang
authors.initials: W
authors.lastname: Tao
authors.affiliation: School of Chemical Engineering, Dalian University of Technology, Dalian, Liaoning 116024, China.
authors.forename: Yinfeng
authors.initials: Y
authors.lastname: Yang
authors.affiliation: Center for Bioinformatics, College of Life Science, Northwest A&F University, Yangling, Shaanxi 712100, China.
authors.forename: Xue
authors.initials: X
authors.lastname: Xu
authors.affiliation: School of Chemical Engineering, Dalian University of Technology, Dalian, Liaoning 116024, China.
authors.forename: Yan
authors.initials: Y
authors.lastname: Li
authors.affiliation: Center for Bioinformatics, College of Life Science, Northwest A&F University, Yangling, Shaanxi 712100, China.
authors.forename: Yonghua
authors.initials: Y
authors.lastname: Wang
authors.affiliation: Laboratory of Pharmaceutical Resource Discovery, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
authors.forename: Ling
authors.initials: L
authors.lastname: Yang
keywords: ADME; Drug discovery; Systems pharmacology; TCM
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