Information technologies as a tool for identification of endocrine disrupting chemicals

Abstract

Background: A multitude of chemicals possess the ability to disrupt nuclear receptors, leading to adverse effects on human health. Evidences indicated that various agricultural, industrial, and household chemicals can directly or indirectly impede the endocrine system of both wildlife species and humans. These substances, defined as endocrine disrupting chemicals (EDCs), pose a potential threat to male and female reproductive functions, prompting high scientific and regulatory attention towards their identification. Aim of the study: The aim of this study is to outline a logic for identification of endocrine-disrupting chemicals, applied with non-commercial software tool. Material and methods: The analysis was conducted using the non-commercial software platform QSAR Toolbox. This platform enables the utilization of a range of pre-existing models for diverse biological/toxic effects. Moreover, it facilitates the integration of new models for various effects.Results: The estrogenic effect of a target chemical is evaluated by making use of a non-commercial software tool. The predicted result is in agreement with literature published findings on the estrogenic effect of similar to the target chemicals.Conclusions: In the current study a sequence of steps is presented in order to assess the estrogenic effect of a target chemical. Each step is explained and discussed in the light of logic incorporated in non-commercial software tool. It is expected that the results could be of help for researchers in the field of receptor binding or other similar studies.