Prediction of Toxicity and Pharmacological Potential of Selected Spice Compounds
DSpice at Indian Institute of Spices Research
View Archive InfoField | Value | |
Creator |
RIJU, A
SITHARA, K SUJA S NAIR EAPEN, S J |
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Date |
2011-05-23T18:20:01Z
2011-05-23T18:20:01Z 2010 |
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Identifier |
Proceedings of the International Symposium on Biocomputing, ACM Digital Library, http://doi.acm.org /10.1145/1722024.1722060.
http://hdl.handle.net/123456789/684 |
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Description |
The use of computational tools in the prediction of ADME/Tox properties of compounds is growing rapidly in drug discovery as the benefits they provide in high throughput and early application in drug design are realized. Numerous examples exist of drugs that have had to be withdrawn, because of unacceptable toxicity, in clinical trials and even after reaching the market. In this study phytochemicals from selected spices were used to predict their rodent carcinogenicity, mutagenicity, PPB and BBB. Out of 108 compounds analysed, we found that only five compounds as non-mutagenic and non-carcinogenic and all the remaining were toxic in a pharmacological perspective. The five non-toxic compounds are alphazingiberene, delphinidin, laurotetanine, malabaricone-B and malabaricone-C. The PPB values of alpha-zingiberene,delphinidin and laurotetanine are in the |
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Format |
1152004 bytes
application/pdf |
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Language |
en
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Subject |
Phytochemicals
ADME/T prediction Rodent carcinogenicity Mutagenicity Plasma-Protein Binding Blood–Brain Barrier Penetration |
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Title |
Prediction of Toxicity and Pharmacological Potential of Selected Spice Compounds
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Type |
Article
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