Jornal de Bioequivalência e Biodisponibilidade

Abstrato

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

Spices have been known for ages as effective therap eutic food. The power of spices to impart biologica l 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 the rapeutic com- pounds. Out of 328 compounds analyzed, ascorbic aci d, nonaldehyde, delphinidin, malabaricone-B, malaba ricone- C, isoquercitrin, quercitrin, α -bisabolol, cis-nerolidol, γ -eudesmol, hexan-1-ol and n-octanal were reported a s non- carcinogenic and non-mutagenic phytochemicals. Biol ogical activity such as antiinflammatory, antioxida nt, anti- viral (HIV), antitoxic, free radical scavenging, ca rdioprotectant, hepatoprotectant, antitussive, anti hemorrhagic etc. were reported for these compounds. Drug likene ss of the compounds were checked with WDI rule and Lipinski’s rule of 5. Since the drug research starts with iden tification of a ‘lead molecule’ with required biolo gical activity, wide range of biological actions along with tox fre e findings may be efficiently used to develop lead candidate for human health benefits. The results of the study hav e been developed as a database. This can be accesse d through www.spices.res.in/passcom.