TCMSP: a database of systems pharmacology for drug discovery from herbal medicines
Top Cited Papers
Open Access
- 16 April 2014
- journal article
- database
- Published by Springer Science and Business Media LLC in Journal of Cheminformatics
- Vol. 6 (1), 13
- https://doi.org/10.1186/1758-2946-6-13
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. Description: 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.Keywords
This publication has 37 references indexed in Scilit:
- Deciphering the combination principles of Traditional Chinese Medicine from a systems pharmacology perspective based on Ma-huang DecoctionJournal of Ethnopharmacology, 2013
- TCMID: traditional Chinese medicine integrative database for herb molecular mechanism analysisNucleic Acids Research, 2012
- TCM: Made in ChinaNature, 2011
- Therapeutic target database update 2012: a resource for facilitating target-oriented drug discoveryNucleic Acids Research, 2011
- ChEMBL: a large-scale bioactivity database for drug discoveryNucleic Acids Research, 2011
- PubChem as a public resource for drug discoveryDrug Discovery Today, 2010
- HIT: linking herbal active ingredients to targetsNucleic Acids Research, 2010
- DrugBank 3.0: a comprehensive resource for 'Omics' research on drugsNucleic Acids Research, 2010
- Cytoscape Web: an interactive web-based network browserBioinformatics, 2010
- Database of traditional Chinese medicine and its application to studies of mechanism and to prescription validationBritish Journal of Pharmacology, 2006