Interactions of AFB2 Aflatoxin and Cinnamycin bacteriocin by Molecular Docking

Abstract

Aflatoxins, produced by fungi, can be found in various environments and cause severe harm to humans and animals. The most notable type is AFB2, which has a cyclopentane ring and is present in human and animal milk. AFB2 is produced by molds like A. flavus and A. parasiticus among the 18 identified types. Aflatoxin B2 has been linked to liver damage and classified as carcinogenic, teratogenic, and immunosuppressive. On the other hand, Class IB bacteriocins are negatively and uncharged, with antimicrobial properties that inhibit specific enzymes. This paper investigated the interaction between AFB2 and Cinnamycin using the molecular insertion method. This study determined that the interaction between AFB2 and cinnamycin resulted in a binding energy (Gibbs free energy, ΔG) of -5.01 kcal/mol, indicating that the reaction is exothermic and occurs voluntarily.