An in silico Approach to Predict Toxicological Mechanisms of Selected Phytochemicals from Areal Parts of Heliotropium indicum Linnaeus and Synthetic Medicines

This in silico study was attempted to predict toxicological mechanisms of selected phytochemicals of Hatisur weed (Heliotropium indicum Linnaeus) and synthetic medicines used for anti-inflammation. we used the ProTox-II online tool (version, 3.0) for the prediction of toxicological mechanisms especially Tox21-Nuclear receptor signalling pathways and -stress response pathways of selected phytochemicals and synthetic medicines. In the present study, for Tox-21 nuclear signalling pathways and Tox-21 stress response pathways, all the compounds were found inactive on the different parameters. In conclusion, all of these phytochemicals and synthetic medicines obtained inactive for Tox-21 nuclear signalling pathways and Tox-21 stress response pathways. It is suggested to conduct in vivo bioassay to validate these predictive results in future.