TCMSP (Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform)

The traditional Chinese medicine systems pharmacology database and analysis platform (TCMSP) was built based on the framework of systems pharmacology for herbal medicines.14 It consists of all the 499 Chinese herbs

(A) The homepage of HIT and (B) search results

Figure 10.1 (A) The homepage of HIT and (B) search results.

registered in the Chinese pharmacopoeia, with 29 384 ingredients, 3311 targets and 837 associated diseases.14 It is divided into three major categories: (1) compounds, targets, and diseases information; (2) herbal ingredients with their ADME (absorption, distribution, metabolism, and excretion)- related properties; and (3) compound-target relationships and target-disease relationships. TCMSP not only provides 12 important ADME-related properties such as human oral bioavailability, half-life, drug-likeness, Caco-2 permeability, blood-brain barrier status, and Lipinski’s rule of five for drug screening and evaluation, but also physicochemical parameters such as hydrogen bond donor, hydrogen bond acceptor, molecular weight, fractional negative accessible surface area, topological polar surface area, and number of rotatable bonds.

The homepage ( of TCMSP is shown in Figure 10.2A. It shows a choice of six categories including herb name, chemical name, InChiKey, Chemical Abstracts Service (CAS) registry number, target name, and disease name from the manual bar. For example, choosing “herb name” and inputting “#^” or “Radix Glycyrrhizae” as the query, will obtain the search result as shown in Figure 10.2B. Detailed information includes the ingredients, related targets, and related diseases of Radix Glycyrrhizae (Figure 10.2C). Additionally, the drug-target or drug-disease networks can be gathered (Figure 10.3A and B), which will help to reveal the mechanisms of action of Chinese herbs, uncover the nature of TCM theory and develop new herb-oriented drugs.

< Prev   CONTENTS   Source   Next >