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In Silico Screening Major Spice Phytochemicals for their Novel Biological Activity and Pharmacological Fitness

Riju A*, Sithara K, Suja S. Nair, Shamina A and Santhosh J. Eapen
Bioinformatics Centre, Indian Institute of Spices Research, Calicut, Kerala 673 012
*Corresponding author: Dr. Riju A, Bioinformatics Centre,
Indian Institute of Spices Research,
Calicut, Kerala 673 012 ,
Phone: 04952731566,
E-mail: riju.aikkal@spices.res.in
Received June 27, 2009; Accepted August 27, 2009; Published August 28, 2009
Citation: Riju A, Sithara K, Nair SS, Shamina A, Eapen SJ (2009) In Silico Screening Major Spice Phytochemicals for their Novel Biological Activity and Pharmacological Fitness. J Bioequiv Availab 1: 063-073. doi:10.4172/jbb.1000010
Copyright: © 2009 Riju A, et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
Abstract

Spices have been known for ages as effective therapeutic food. The power of spices to impart biological activity is now slowly reemerging as an area of interest. We have screened 328 compounds present in five major spices  namely, cinnamon (Cinnamomum verum), nutmeg (Myristica  fragrans), garcinia (Garcinia cambogia), allspice (Pimenta dioica) and black pepper (Piper nigrum L.) for their biological activity as promising therapeutic compounds. Out of 328 compounds analyzed, ascorbic acid, nonaldehyde, delphinidin, malabaricone-B, malabaricone-C, isoquercitrin, quercitrin, α-bisabolol, cis-nerolidol, γ-eudesmol, hexan-1-ol and n-octanal were reported as non-carcinogenic and non-mutagenic phytochemicals. Biological activity such as antiinflammatory, antioxidant, antiviral (HIV), antitoxic, free radical scavenging, cardioprotectant, hepatoprotectant, antitussive, antihemorrhagic etc. were reported for these compounds. Drug likeness of the compounds were checked with WDI rule and Lipinski’s rule of 5. Since the drug research starts with identification of a ‘lead molecule’ with required biological activity, wide range of biological actions along with tox free findings may be efficiently used to develop lead candidate for human health benefits. The results of the study have been developed as a database. This can be accessed through www.spices.res.in/passcom.

 
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