Abstract

QUANTUM MODELING TO DETERMINE THE CARCINOGENIC POTENTIAL OF AFLATOXIN B2 PRODUCED BY ASPERGILLUS FLAVUS AND A. PARASITICUS

Emmanuel Vázquez – López, Erick Pedraza - Gress, Karina García-Aguilar, Iliana Herrera-Cantú, Juan Jesús García-Mar, Lillhian Arely Flores - González, Manuel Aparicio -Razo, Oscar Sánchez - Parada and Manuel González-Pérez*

ABSTRACT

Aflatoxin B2 (AFB2) is produced mainly by the mycotoxin Aspergillus flavus and, Aspergillus parasiticus. Aflatoxins are toxic substances produced by some types of fungi that can grow in food. People who eat foods that contain high levels of aflatoxins can get sick, as can individual animals. The primary objective of this study is to calculate the electron transfer coefficients (ETC) of aflatoxin B2 (AFB2), the metabolite M2 (AFM2) and the nitrogenous bases that form DNA and RNA to verify the mutagenic potential of this mycotoxin. We used the hyperchem quantum simulator for Windows specifically the SE-PM3 method. AFB2 is a potent human and animal hepatocarcinogen. The metabolite AFM2 has a sizeable mutagenic capacity. These statements are confirmed by the findings seen in the results of quantum modeling in which it is demonstrated that AFB2 is a carcinogenic substance of high potential that exists. AFB2 and AFM2 cause severe mutations in both DNA and RNA. Due to the demand of the production and consumption of dry grains and cereals in Mexico, the need arises for an investigation into the danger of this most potent carcinogen produced by nature.

Keywords: Aflatoxin B2, Aflatoxin M2, Electron Transfer Coefficient, Mycotoxins, AFM2, AFB2.