Abstract
ABSTRACTPredictions on bioactivities of herbs and herbal compounds could greatly aid drug development, but require integration of available information on herb and compound effects from various databases. We present Herb-paths, an integrated network connecting information on health-beneficial effects of herbs and herbal constituents. The statistical models included in Herb-paths allow for the calculation of the association strength of herbal (constituents) with health-beneficial effects, for both known and novel effects, and give insight into the major bioactive compounds and molecular mechanisms driving the effects.Herb-paths’ predictions were tested and validated using a case-study ofPanax notoginsengand its derived medicinal extract of Panaxatriol saponins (PTS), used in traditional Chinese medicine to treat stroke and other cardiovascular and cerebrovascular thromboembolic (CCT) disorders.Results showed that Herb-paths predicted known and novel associations between PTS/Notoginsengand CCT phenotypes and diseases, including stroke. Predicted novel associations, such as MoyaMoya disease, are promising putative leads for treatment with PTS/Notoginseng, to be tested in further studies.
Publisher
Cold Spring Harbor Laboratory
Reference53 articles.
1. Traditional Chinese Medicine Research in the Post-Genomic Era: Good Practice, Priorities, Challenges and Opportunities;J. Ethnopharmacol,2012
2. U.S. Department of Agriculture, A. R. S. Dr. Duke’s Phytochemical and Ethnobotanical Databases. http://phytochem.nal.usda.gov/. https://doi.org/10.15482/USDA.ADC/1239279.
3. FooDB. The Metabolomics Innovation Centre: Canada 2021.
4. Fern, K. Plants for a Future: Edible and Useful Plants for a Healthier World; Permanent Publications: Hampshire, UK, 1997.
5. ChEBI in 2016: Improved services and an expanding collection of metabolites