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Assessment of the Effects of Endocrine Disrupting Compounds on the Development of Vertebrate Neural Network Function Using Multi-electrode Arrays

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Ecotoxicological Evaluation of Bisphenol A and Alternatives: A Comprehensive In Silico Modelling Approach.

Liadys Mora Lagares¹, Marjan Vračko¹

¹Laboratory for Cheminformatics, Theory Department, National Institute of Chemistry, 1000 Ljubljana, Slovenia.

Journal of Xenobiotics

|December 22, 2023

Summary

This study evaluated bisphenol A (BPA) alternatives using in silico ecotoxicological models. Some BPA derivatives show potential environmental concern, highlighting the need for specialized assessment models.

Keywords:

BPA alternatives bisphenol A (BPA)ecotoxicity assessment environmental impact in silico models principal component analysis (PCA)

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Published on: August 28, 2019

Area of Science:

Environmental Science
Toxicology
Computational Chemistry

Background:

Bisphenol A (BPA) is prevalent in industrial applications, including polycarbonate plastics and epoxy resins.
Widespread use of BPA raises significant concerns regarding its environmental persistence and potential human health impacts.
Assessing the ecotoxicological profiles of BPA alternatives is crucial for mitigating environmental risks.

Purpose of the Study:

To evaluate the ecotoxicological properties of various bisphenol A (BPA) alternatives.
To identify specific BPA derivatives that may pose environmental risks.
To assess the utility of current in silico models for evaluating BPA alternatives.

Main Methods:

Utilized a diverse set of in silico ecotoxicological models.
Screened 76 bisphenols, including derivatives of Bisphenol A (BPA).
Applied computational models not specifically developed for this compound class, necessitating cautious interpretation.

Main Results:

Identified several bisphenol compounds with potential ecotoxicological concerns.
Highlighted limitations of existing general in silico models for assessing BPA alternatives.
Indicated variability in environmental risk among different BPA derivatives.

Conclusions:

Certain BPA alternatives warrant further investigation due to potential environmental risks.
Emphasized the critical need for developing specialized ecotoxicological models for BPA alternatives.
Accurate assessment models are essential for informed selection of safer chemical substitutes.