Estudo das interações entre o disruptor endócrino glifosato (e seus metabólitos) e três receptores hormonais

Glyphosate is the most used herbicide worldwide1 and, consequently, there is various concerns about its use worldspread and its effects in the human body, especially in the hormonal pathways. Some experimental data indicates that glyphosate have indeed a disruptor action2,3. However, its mode of action is not yet well documented4. So, this study has the objective to better understand the interaction between the glyphosate and its possible metabolites onto the three hormonal receptors: estrogen receptor alpha (ERα), estrogen receptor beta (ERβ), and androgen receptor (AR). First, we used the software GloryX5 to find possible metabolites of glyphosate, because the toxicity related to this chemical may be associated with a metabolite instead of itself. Afterwards, we performed redocking and docking simulations, using the GOLD software6, to analyze the main interactions between glyphosate and the metabolites. Finally, we carried out calculations on ADMET properties of these molecules using the software SwissADME7. From the obtained results, we can conclude that the glyphosate has a week and unstable interaction at the three LBDs of the different receptors under study. Furthermore, glyphosate also has a high-predicted clearance in human body, which may reduce the time of circulation in the organism.