TCM - Explanatory Notes

1. Traditional Chinese Medicine (TCM) Database Product Features and Contents
   1.1 Background and Significance of TCM Database Development
   1.2 The TCM Database unifies scientific and empirical information.
   1.3 Application Areas of the TCM Database
   1.4 Contents of TCM (2.1 Version)
      1.4.1 Compounds Isolated from TCM Medicinal Plants
      1.4.2 4636 TCM Medicinal Plants
      1.4.3 3D-Structural Database of the 10458 Compounds
   1.5 Search Functions and Usage of TCM Database

1. Traditional Chinese Medicine (TCM) Database Product Features and Contents

1.1 Background and Significance of TCM Database Development

The developers of the TCM Database, working at the Chinese Academy of Sciences in Beijing, have many years of research experience in the fields of molecular modeling, QSAR, drug design and scientific database design and development. The TCM Database is a new R&D tool to support new drug design and modernization of traditional Chinese medicine. This is a brief introduction to this database.

The Second Edition of “Traditional Chinese Medicines” is the basis of the TCM Database, and was published in the UK and USA in Feb 2003 by the Ashgate Publishing Company.

1.2 The TCM Database unifies scientific and empirical information.

TCM contains accurate 2D chemical structures. It provides isolated natural compound’s bioactivities, TCM effects, TCM indications and TCM pharmacological data. It also provides explicit identification of TCM source species where multiple sources of a medicinal agent exist.

TCM is available by subscription, intranet (using ChemOffice Enterprise) and CD-ROM. The CD-ROM version uses CambridgeSoft’s ChemDraw® and ChemFinder® technologies to provide searching and viewing of content using Window operating systems. It is also available to users of Macintosh computers by subscription over the internet.

1.3 Application Areas of the TCM Database

TCM is a multi-sciences database that provides information concerning current TCM research, TCM chemistry, pharmaceutical chemistry, phytochemistry, cheminformatics, TCM pharmacology, molecular pharmacology, drug design, R&D of natural products, new drug discovery, new dosage forms of TCM, and R&D of new cosmetics.

1.4 Contents of TCM (2.1 Version)

There are two Sections to the TCM Database that include the individual compounds isolated from TCM plants, the TCM medicinal plants, and their therapeutic utilities.

1.4.1 Compounds Isolated from TCM Medicinal Plants

The first part of the TCM Database contains 10458 compounds isolated from TCM medicinal plants (a few of these from animals), collected from 1800 references (original papers or authoritative books) in either Chinese or English.

For each compound, up to 11 items of data are provided. They are an unique code, the English common name, the scientific name, the CAS registration number, the molecular formula, the molecular weight, physico-chemical properties (including crystal form, melting point, boiling point, optical rotation, etc.), formatted bioactivity data (experimental results of pharmacological assay - available for 3000 compounds), TCM sources listing, the structure with stereochemical information and references.

1.4.2 TCM Medicinal Plants

The second part of the TCM Database contains systematic descriptions of 4636 related medicinal plants.

These are defined into four categories. (1) 1934 botanical species defined as a “representative source plant” and (2) 381 botanical species defined as an “equivalent source plant”. Combining Category (1) and (2) together gives 2315 TCM medicinal plant species. (3) 1289 species defined as “TCM-congeneric plants”. They are rare plant materials which may be useful in research into TCM resources and to establish a connection between the traditional TCM body of knowledge modern research data. (4) A further 318 species which are currently of significant interest in research.

For each species of Category (1) and (2), ten data items have been collected. These include a unique code, the TCM pin-yin name, the English name, the species Latin scientific name, the family of the species, the relevant part of the plant, the traditionally recognized effects, the indications, the modern pharmacological key words, and a listing of active components which are isolated from the plant.. For each species of Category (3) and (4), a listing of active components is also provided.

1.5 Search Functions and Usage of TCM Database

Many levels of searching are possible. Searching may be done on all text fields. You can search by plant and therapeutic utility. Numerical data and molecular formulas are range searchable. Structure searching includes full structure, substructure, and similarity search modes. You can also choose to match on specific stereochemistry or use generic groups and bond types to retrieve chemical structures.