Following the investigation carried out at the level of the Mekong Delta region (southern Vietnam) on the management of some pesticides which potentially threaten human health, we made this study to see the toxicity of these pesticides in humans, and this using the SwissADME software using the “BOILED-Egg” method.
The following table lists the pesticides studied:
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Table 1. Structural identification of the organic pesticides studied.
Depending on their physicochemical properties (polarity and molecular lipophilicity), pesticides can take one or more entry routes into the human cell.[3]The following figure illustrates the intestinal absorption and cerebral penetration of pesticides. studied by the BOILED-Egg method.
[Figure 1. Intestinal absorption and cerebral permeability of some organic pesticides by the BOILED-Egg- model produced using Swissadme software (original work)]
According to this figure, molecule 6 (Fipronil) located in the gray region is the least likely to cross the intestinal barrier and the cerebral barrier, so this molecule has a very low toxicity for humans. Molecules 3, 7 and 9 (Cypermethrin, Isoprothiolane and Profenofos) located in the white region are able to cross only the intestinal barrier to access the bloodstream. While molecules 1,2,4,5,8,10 and 11 located in the yellow region are the most absorbed pesticides in humans, they can cross the intestinal barrier and enter the brain. According to this study, these pesticides are the most dangerous for human health.
For more information (references):
[1] P. Van Toan, Z.Sebesvari, M.Bläsing, I. Rosendahl, F. Renaud, Pesticide management and their residues in sediments and surface and drinkingwater in the Mekong Delta, Vietnam, Science of The Total Environment. 452–453 (2013) 28-39.
[2]A. Daina, O. Michielin, V. Zoete, SwissADME: a free web tool to evaluatepharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules,Scientific Reports. 7 (2017) 42717.
[3]L. Chedik, Prédiction in silico de l’absorption intestinale et de la pénétration cérébrale despesticides chez l’homme, Thèse de doctorat, Université de RENNES 1, 2017.