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A total of 61,000 TCM compounds were downloaded from the TCM database (http://tcm.cmu.edu.tw/).
To improve the development of TCM compounds, we aim to identify potent TCM compounds from the TCM Database@ Taiwan[ 34] as lead compounds of TRAF6 inhibitor.
To improve the drug development of TCM compounds, we aim to identify potent TCM compounds as lead compounds of PKM2 regulators.
A total of 61,000 TCM compounds had been downloaded from the TCM database (http://tcm.cmu.edu.tw/).
Prepare Ligand module in DS 2.5 was employed to protonate the final structure of TCM compounds from TCM Database@ Taiwan[ 34] and filter TCM compounds using Lipinski's Rule of Five [ 40].
These TCM compounds are S-allylmercaptocysteine and 5-hydroxy-L-tryptophan, extract from the TCM herbs Allium sativum and Mucuna pruriens, respectively.
These data do not imply endorsement for any clinical or private use of the toxic TCM compounds nor for any animal products present in the database.
For search-by-specifying-molecular-properties, a search script written in PHP is used to search and retrieve TCM compounds that satisfied all the input properties.
The top two TCM compounds can be selected (Table 1).
The TCM compounds were downloaded from TCM database (http://tcm.cmu.edu.tw/).
To improve drug development of TCM compounds, we aim to investigate the potent lead compounds as PXR agonists from the TCM compounds in TCM Database@ Taiwan
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