TCM Database@Taiwan: The World's Largest Traditional Chinese Medicine Database for Drug Screening In Silico
By Calvin Yu‐Chian Chen. PLoS ONE, 2011
735 citations recorded by the source corpus.
Rapid advancing computational technologies have greatly speeded up the development of computer-aided drug design (CADD). Recently, pharmaceutical companies have increasingly shifted their attentions toward traditional Chinese medicine (TCM) for novel lead compounds. Despite the growing number of studies on TCM, there is no free 3D small molecular structure database of TCM available for virtual screening or molecular simulation. To address this shortcoming, we have constructed TCM Database@Taiwan (http://tcm.cmu.edu.tw/) based on information collected from Chinese medical texts and scientific publications. TCM Database@Taiwan is currently the world's largest non-commercial TCM database. This web-based database contains more than 20,000 pure compounds isolated from 453 TCM ingredients. Both cdx (2D) and Tripos mol2 (3D) formats of each pure compound in the database are available for download and virtual screening. The TCM database includes both simple and advanced web-based query options that can specify search clauses, such as molecular properties, substructures, TCM ingredients, and TCM classification, based on intended drug actions. The TCM database can be easily accessed by all researchers conducting CADD. Over the last eight years, numerous volunteers have devoted their time to analyze TCM ingredients from Chinese medical texts as well as to construct structure files for each isolated compound. We believe that TCM Database@Taiwan will be a milestone on the path towards modernizing traditional Chinese medicine.
Subfields: Analytical Chemistry, Computational Theory and Mathematics, Pharmacology
View Paper: https://www.semanticscholar.org/paper/8a61d0e598d1a1d47fa4f744081cd39255a3f508
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In Analytical Chemistry
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Citations in the corpus
- TCMSP: a database of systems pharmacology for drug discovery from herbal medicines (2014, background): “For example, TCM-ID [12] and TCM Database@Taiwan [13] provide the largest number of herbal ingredients with 3D structures and functional properties.”
- Network Pharmacology Databases for Traditional Chinese Medicine: Review and Assessment (2019, methodology): “Commonly used databases for TCM network pharmacology research include TCM databases [TCM database@Taiwan (Chen, 2011), HIT (Ye et al., 2011), TCMSP (Ru et al., 2014), and TCMID (Xue et al., 2013)), compound and drug information databases (Drugbank (Wishart et al., 2006), STITCH (Kuhn et al., 2014),…”
- Network Pharmacology: A New Approach for Chinese Herbal Medicine Research (2013, background): “Furthermore, many other TCM databases have been established for network pharmacology research, such as the TCMGeneDIT database [44] and TCM Database@Taiwan [45].”
- Review on natural products databases: where to find data in 2020 (2020, methodology): “The biggest database containing NPs used in TCM is TCM@Taiwan [94].”
- Traditional Chinese medicine network pharmacology: theory, methodology and application. (2013, background): “Meanwhile, with the availability of various databases and data resources related to TCM and biological systems [52-64] (Table 2), many researchers have continued to modernize TCM in the context of network pharmacology.”