Vol. 9, Issue 6 (2020)

Author(s):
T Senthil Kumar and JS Ruthra Priya

Abstract:
The present objective was an in silico study to detect oral acute toxicity, organ toxicity, immunotoxicity, genetic toxicity endpoints, nuclear receptor signalling, and stress response pathways of common synthetic pyrethroids by using ProTox-II webserver. The phyto-compounds synthesized from cymbopogon flexuosus such as carbetapentane, 2-propenoic acid, bornyl acetate, Heptadecanoic acid, phytol, 1(3H)-isobenzofuranone,3-ethoxy-, quinhydrone, 9,12,15-octadecatrienoic acid ethyl ester, 15-methylhexadecanoic acid, oxirane, 1-Heptanol-6-methyl, Diacyl phthalate, eicosane. ProTox-II webserver was used for toxicological assessment in organism, organs, cell and gene level along with molecular mechanisms of toxicity. The predictive results for the toxicity of phyto-compounds, 2-propenoic acid showed highly toxic compound among 13 compounds as fatal if swallowed as class III followed by carbetapentane, Heptadecanoic acid, 15-methylhexadecanoic acid, quinhydrone, 1-Heptanol-6-methyl but hepatotoxic potential was only Heptadecanoic acid, quinhydrone, 9,12,15-octadecatrienoic acid ethyl ester while no immunotoxic was obtained. On the other hand, none of the compounds were obtained cytotoxicity and carbetapentane and oxirane shows carcinogenicity and Mutagenecity. In case of NR signalling pathways, 9,12,15-octadecatrienoic acid ethyl ester were obtained nrf2/ARE and HSE active while MMP active compounds were obtained 1(3H)-isobenzofuranone,3-ethoxy-, quinhydrone, respectively. For p53 and ATAD5 parameters, all thirteen compounds were obtained inactive. In conclusion, the present predictive results are suitable for academician, researchers, industries, etc. those who are making drugs and environmental chemicals. This web server helps faster screening of large numbers of compounds within short duration and no animal testing. This present in silico study easily detects toxin(s), which can be validated in future through in vitro and in vivo experimental assay.