The Predicted Toxicology of Benfluralin, Dinitramine, Ethalfluralin, Oryzalin, Pendimethalin, Prodiamine, and Trifluralin Using in Silico Models s
DOI:
https://doi.org/10.24925/turjaf.v13is2.3545-3550.8129Keywords:
Dinitroanilines, Herbicides, in silico modelling, Pesticides, Soil contamination, ToxicityAbstract
In modern agriculture, pesticides are indispensable chemicals for controlling and eliminating pests, which ensures high growth rates and the quantity of food. Pesticide usage is linked to managing the weeds and insect pests that impact agricultural systems. Water, soil, and air are essential media for transporting pesticides from one location to another and can further cause direct and indirect exposure to pesticides. In silico toxicity modeling is considered a novel computational method used to predict toxicological outcomes and endpoints related to pesticides. Two different in silico models were applied and compared to predict the toxicity of seven pesticides, belonging to the dinitroaniline family of herbicides. The Toxicity Estimation Software Tool (TEST) and ProTox 3.0 in silico platforms were utilized to estimate the toxicity of benfluralin, dinitramine, ethalfluralin, oryzalin, pendimethalin, prodiamine, and trifluralin. TEST results indicated that seven herbicides appeared to be potential developmental toxicants. According to the ProTox 3.0 in silico hazard results, dinitramine, ethalfluralin, and oryzalin dinitroanilines were relatively harmless (predicted toxicity class 5), while benfluralin, pendimethalin, prodiamine, and trifluralin herbicides were classified as predicted toxicity class 4.
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