AN EASY SCREENING THROUGHIN SILICO STUDY FOR PREDICTIVE TOXICITY MECHANISMS OF DIFFERENT PHTHALATE COMPOUNDS BY USING ONLINE TOOL (PROTOX-II WEBSERVER)

Abstract

The phthalate compounds (PCs) are well-known plasticizers and easily exposed through environment. The present objective was an in silico study to detect toxicity mechanisms of common phthalates by using ProTox-II webserver. Different types of common PCs were selected as per recent literatures study. Total 14 nos. of PCs were selected for present predictive study. These PCs such as DEHP, DINP, DIDP, DPHP, DMP, DEP, BBP, MBP, PA, DNPP, DCHP, DAP, DNHP and DHP were studied. The prediction of different toxicity mechanisms was done by using ProTox-II webserver. The mechanism of toxicity of PCs indicated 10 compounds were obtained between the class of IV and V while 4 compounds were found class VI. The hepatotoxicity and immunotoxicity results were observed inactive for all compounds. All the compounds were found cytotoxic and mutagenic inactive, but 8 compounds obtained carcinogenic active.TheTox21-nuclear receptor signalling pathways revealed AhR, AR, AR-LBD, Aro, ER, ER-LBD, PPAR-Gamma were inactive except 1 compound active for ER and ER-LBD. For Tox21-stress response pathways, it was observed that 2 compounds were active for nrf2/ARE and HSE. The parameter MMP was active only for 1 compound. Other two parameters viz. p53 and ATAD5 obtained all the compounds were inactive. In conclusion, the present predictive results indicated that few PCs are harmful to animals and scattered information on toxicity mechanisms by few compounds found for human studies. This prediction may be suitable for further in vitro and in vivo research works in future to validate the present prediction.