MicotoXilico: An Interactive Database to Predict Mutagenicity, Genotoxicity, and Carcinogenicity of Mycotoxins

Abstract

Mycotoxins are secondary metabolites produced by certain filamentous fungi. They are common contaminants found in a wide variety of food matrices, thus representing a threat to public health, as they can be carcinogenic, mutagenic, or teratogenic, among other toxic effects. Several hundreds of mycotoxins have been reported, but only a few of them are regulated, due to the lack of data regarding their toxicity and mechanisms of action. Thus, a more comprehensive evaluation of the toxicity of mycotoxins found in foodstuffs is required. In silico toxicology approaches, such as Quantitative Structure–Activity Relationship (QSAR) models, can be used to rapidly assess chemical hazards by predicting different toxicological endpoints. In this work, for the first time, a comprehensive database containing 4360 mycotoxins classified in 170 categories was constructed. Then, specific robust QSAR models for the prediction of mutagenicity, genotoxicity, and carcinogenicity were generated, showing good accuracy, precision, sensitivity, and specificity. It must be highlighted that the developed QSAR models are compliant with the OECD regulatory criteria, and they can be used for regulatory purposes. Finally, all data were integrated into a web server that allows the exploration of the mycotoxin database and toxicity prediction. In conclusion, the developed tool is a valuable resource for scientists, industry, and regulatory agencies to screen the mutagenicity, genotoxicity, and carcinogenicity of non-regulated mycotoxins.

Networking on food safety and innovative techniques for evaluating human health risks. Workshop - RiskTox

“…For the prediction, specific robust QSAR models were generated, showing good accuracy, precision, sensitivity, and specificity when applied to external mycotoxin validation datasets. 6 Moreover, these models are compliant with the OECD criteria for in silico prediction tools, and can be used for regulatory purposes. The webserver also incorporates a database of 4360 different mycotoxins classified in 170 categories that can be interactively explored.…”

Antifungal activity of Lysinibacillus macroides against toxigenic Aspergillus flavus and Fusarium proliferatum and analysis of its mycotoxin minimization potential

“…Aspergillus flavus is typically found in decaying vegetation and soil [ 4 ]. This fungus is well-known for producing aflatoxin, a strong carcinogen that is dangerous to both people and animals [ 5 , 6 ]. A. flavus may infect a diverse range of hosts, such as maize, cotton, and peanuts.…”