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http://dx.doi.org/10.1016/j.jgr.2016.10.005

Using reverse docking to identify potential targets for ginsenosides  

Park, Kichul (Department of Bioinformatics, Korea University)
Cho, Art E. (Department of Bioinformatics, Korea University)
Publication Information
Journal of Ginseng Research / v.41, no.4, 2017 , pp. 534-539 More about this Journal
Abstract
Background: Ginsenosides are the main ingredients of ginseng, which, in traditional Eastern medicine, has been claimed to have therapeutic values for many diseases. In order to verify the effects of ginseng that have been empirically observed, we utilized the reverse docking method to screen for target proteins that are linked to specific diseases. Methods: We constructed a target protein database including 1,078 proteins associated with various kinds of diseases, based on the Potential Drug Target Database, with an added list of kinase proteins. We screened 26 kinds of ginsenosides of this target protein database using docking. Results: We found four potential target proteins for ginsenosides, based on docking scores. Implications of these "hit" targets are discussed. From this screening, we also found four targets linked to possible side effects and toxicities, based on docking scores. Conclusion: Our method and results can be helpful for finding new targets and developing new drugs from natural products.
Keywords
drug target; ginsenoside; ligand screening; protein docking; reverse docking;
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