Unit:
Κατεύθυνση Περιβάλλον και Υγεία: Διαχείριση Περιβαλλοντικών Θεμάτων με Επιπτώσεις στην ΥγείαLibrary of the School of Health Sciences
Supervisors info:
Νικόλαος Καβαντζάς, Καθηγητής, Ιατρική Σχολή, ΕΚΠΑ, Επιβλέπων
Ανδρέας Χ. Λάζαρης, Καθηγητής, Ιατρική Σχολή, ΕΚΠΑ
Ιωάννης Παπανικολάου, Αναπληρωτής Καθηγητής, Ιατρική Σχολή, ΕΚΠΑ
Original Title:
Εκτίμηση της εντερικής διαπερατότητας και του αιματοεγκεφαλικού φραγμού φυτοφαρμάκων με την χρήση φυσικοχημικών ιδιοτήτων
Translated title:
Simple physicochemical properties for risk estimation of human intestinal absorption and brain penetration of pesticides: A sustainable, health promoting data analysis approach
Summary:
Introduction: Pesticides are considered widely-distributed environmental pollutants due to their widespread use for agricultural, industrial or domestic purposes, as well as their strong environmental persistence. Thus, humans are highly exposed to pesticides, mainly through the consumption of contaminated food or water. This is a major public health issue due to the well-established pesticides’ toxicity which may trigger or favour various chronic diseases, including neurodegenerative, metabolic, reproductive and developmental disorders, and cancer.
Aim: The present study aimed to assess whether simple physicochemical properties could be used as effective filters for risk estimation of human intestinal absorption and brain penetration of pesticides.
Materials and Methods: A large data set of 336 pesticides with literature available experimental data concerning their human intestinal absorption and brain permeation was systematically compiled. Simple physicochemical properties of pesticides were evaluated by widely-recognized software packages. The pesticides were classified as high or low risk compounds based on their human intestinal absorption and brain permeation. Statistical analysis was performed to evaluate the potential associations of pesticides’ intestinal absorption and brain permeation with their physicochemical properties.
Results: Alarmingly enough, 82% of the pesticides showed high intestinal absorption risk, while 39% of them presented high brain permeation risk. Pesticides with high intestinal absorption risk significantly presented low lipophilicity (logP and logD6.5), enhanced polarity (HA and HD), flexibility (RB) and volume (V), and low molecular weight (MW) (p<0.001). Pesticides with high brain penetration risk significantly presented enhanced polarity (TPSA, HA), flexibility (RB) and volume (V), and low molecular weight (MW) (p<0.001).
Conclusions: Simple physicochemical properties related with lipophilicity, polarity and molecular weight proved to be adequate effective filters for risk estimation of human intestinal absorption and brain permeation of pesticides. This environmentally friendly, high throughput and cost effective data analysis approach may promote sustainable human public health and care system.
Main subject category:
Health Sciences
Keywords:
Intestinal absorption, Brain penetration, Pesticides, Physicochemical properties
