Record Details

Prediction of Toxicity and Pharmacological Potential of Selected Spice Compounds

DSpice at Indian Institute of Spices Research

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Field Value
 
Creator RIJU, A
SITHARA, K
SUJA S NAIR
EAPEN, S J
 
Date 2011-05-23T18:20:01Z
2011-05-23T18:20:01Z
2010
 
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
 
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exist of drugs that have had to be withdrawn, because of unacceptable toxicity, in clinical trials and even after reaching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
 
Format 1152004 bytes
application/pdf
 
Language en
 
Subject Phytochemicals
ADME/T prediction
Rodent carcinogenicity
Mutagenicity
Plasma-Protein Binding
Blood–Brain Barrier Penetration
 
Title Prediction of Toxicity and Pharmacological Potential of Selected Spice Compounds
 
Type Article