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

Indian Institute of Spices Research, Calicut 673012, Kerala, India.

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

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