In Silico Prediction for Intestinal Absorption and Brain Penetration of Chemical Pesticides in Humans.

ABSTRACT: Intestinal absorption and brain permeation constitute key parameters of toxicokinetics for pesticides, conditioning their toxicity, including neurotoxicity. However, they remain poorly characterized in humans. The present study was therefore designed to evaluate human intestine and brain permeation for a large set of pesticides (n = 338) belonging to various chemical classes, using an in silico graphical BOILED-Egg/SwissADME online method based on lipophilicity and polarity that was initially developed for drugs. A high percentage of the pesticides (81.4%) was predicted to exhibit high intestinal absorption, with a high accuracy (96%), whereas a lower, but substantial, percentage (38.5%) displayed brain permeation. Among the pesticide classes, organochlorines (n = 30) constitute the class

SUBMITTER: Chedik L 

PROVIDER: S-EPMC5551146 | biostudies-literature | 2017 Jun

REPOSITORIES: biostudies-literature