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.
Abstract:
Bisphenol A (BPA), a compound widely used in industrial applications, has raised concerns due to its environmental impact. As a key component in the manufacture of polycarbonate plastics and epoxy resins used in many consumer products, concerns about potential harm to human health and the environment are unavoidable. This study seeks to address these concerns by evaluating a range of potential BPA alternatives, focusing on their ecotoxicological properties. The research examines 76 bisphenols, including BPA derivatives, using a variety of in silico ecotoxicological models, although it should be noted that these models were not developed exclusively for this particular class of compounds. Consequently, interpretations should be made with caution. The results of this study highlight specific compounds of potential environmental concern and underscore the need to develop more specific models for BPA alternatives that will allow for more accurate and reliable assessment.
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