Mitigation of Aflatoxin metabolites in food and feed using phenolic compounds identified by insilico study

Abstract

Abstract Milk is considered a complete diet that contains nutrients in balance. Apart from different possible concerns, mycotoxins are considered a serious cancer-causing compound from which many are considered extremely toxic. With the industrialization and rapid increase in population, there is a serious concern to be managed with respect to food safety. The permissible limit (0.05µg/l) defined by the EU is being followed in Pakistan. The purposed study was to screen out AFM1 contamination in goat milk and In-silico identification of possible ways to interrupt the pathway of AFM1. The maximum concentration of AFM1 0.0669 µg/l exceeds the permissible limit and minimum 0.0015µg/l below the permissible limit was observed in some Goat milk sample collected in surroundings of Sahiwal Pakistan. 10% milk samples were reported highly contaminated with AFM1 as exceeds permissible limit value. For pathway intruption, an enzyme (O- methylsterigmatocystin oxidoreductase) was identified directly involved in AFB1 synthesis and further conversion. The molecular docking was performed against this enzyme to inhibit the conversion into toxic compound. Essential oil was used to inhibit fungal growth and detoxification of toxic substances. The ligand compounds were extracts of naturally occurring plants such as walnut, black currants, blueberries, raspberries, red currants, cranberries and Adhatoda vasica (Nees). Docking of compounds was performed by AutoDock Vina and after and interaction visualization. A Lead ZINC000030729894 was identified with good docking results and interaction.