Identification and evaluation of potentially mutagenic and carcinogenic food contaminants

Abstract

Heat processing of food gives rise to a plethora of chemical compounds whose toxicological effects are largely unknown. Due to a general lack of experimental toxicological data, assessing the risks associated with the consumption of these substances remains a challenge. Computer models that allow for an in silico prediction of physicochemical and toxicological characteristics, may be able to fill current data gaps and facilitate the risk assessment of toxicologically uncharacterised chemicals, their transformation products and their biological metabolites. The overall aims of the present project were for the fellow: (i) to get acquainted with the application of computational toxicological analyses tools in risk assessment based on results and experiences from previous research performed at the German Federal Institute for Risk Assessment (BfR); and (ii) to apply the newly gained skills on historic and novel data using updated and additional in silico tools. The project contributed to the continuous further education of the fellow in the use of computational toxicology tools, corroborated findings related to the safety of heat‐induced contaminants and laid the foundations for future collaborations between the fellow's home institution, the Institute of Marine Research (IMR) in Norway, and the BfR in Germany.

Challenges and Opportunities for Integrating In Silico Models and Adverse Outcomes Pathways to Set and Relate New Biomarkers

“…With increasing relevance in different applications and as a cost-effective tool with a potentially higher mechanistic interpretability in evidence-driven assessments, in silico models (computer-based) are considered useful for predicting the toxicity of chemicals with unknown biological activity and are recommended by regulators and/or proposed by investigators for use in various contexts. Some types of substances assessed by in silico models in the last few years include drug impurities and degradation products [1]; pesticide metabolites and impurities [2]; additives, neo-formed contaminants (NFCs), and contaminants in food [3][4][5]; cosmetic ingredients [6]; industrial chemicals and emerging chemicals (ECs) [7]; and others.…”