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. 2014 Apr 16:6:13.
doi: 10.1186/1758-2946-6-13. eCollection 2014.

TCMSP: a database of systems pharmacology for drug discovery from herbal medicines

Affiliations

V体育安卓版 - TCMSP: a database of systems pharmacology for drug discovery from herbal medicines

Jinlong Ru et al. J Cheminform. .

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 VSports手机版. 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 V体育安卓版. .

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 V体育ios版. TCMSP is freely available at http://sm. nwsuaf. edu. cn/lsp/tcmsp. php. .

Keywords: ADME; Drug discovery; Systems pharmacology; TCM. VSports最新版本.

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Figures (V体育安卓版)

Figure 1
Figure 1
Database scheme and search flow chart. To obtain the Comprehensive Analysis Page (C) of a herb, users can search from (A) with Herbal name; Searching by Chemical name, InChIKey or CAS number of a compound leads to Compound Information page (B1). Searching by Target name to Target Information page (B2), Disease name to Disease Information page (B3), respectively; B1-B2-B3 are cross reference via Herbs-Compounds-Targets-Diseases (H-C-T-D) references on each page, which will all lead to the Comprehensive Analysis Page eventually. C1 offers a screening tool for compounds screening with diverse criteria. CTN and TDN could be downloaded in C2 and C3, respectively. Finally, users can save and analyze the networks in Cytoscape software or other network analysis software (C4).
Figure 2
Figure 2
Workflow of the general TCMSP based research.

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