Abstract

HYPOGLYCIN A: QUANTUM ANALYSIS OF THE MOLECULAR ELECTRONIC INTERACTIONS OF THE AMINO ACID PRESENT IN THE UNRIPE LYCHEE FRUIT, OVER THE ENZYMES THAT HELP IN THE PROCESS OF GLUCONEOGENESIS

Angel Vladimir Ibañez Barzalobre, Manuel Aparicio-Razo, María del Rosario Leticia Cabrera-Lara, Germán Barrientos-Cabrera, Laura Contreras-Mioni, Jesús Alejandro Martínez Juárez, Oscar Sánchez Parada and *Manuel González Pérez

ABSTRACT

Hypoglycin A is a naturally occurring amino acid found in the unripe lychee fruit. Lychee has been linked to the Jamaican Vomiting Sickness, caused for the consumption of significant amounts of Hypoglycin A, even though some studies have found Hypo-A inhibits several enzymes in the citric acid cycle (specifically the ones that help to form acetyl-CoA). It remains unclear how Hypo-A affects the rest of the human body. The purpose of this research is using quantum semiempirical method (PM3) to determine the molecular electronic interaction of the Hypoglycin A over the enzymes that help in the process of gluconeogenesis. The content of amino acids of each enzyme is based in the National Center for Biotechnology Information (NCBI). The result of the study demonstrates Hypoglycin A has a more prominent molecular electronic interaction to valine and leucine. Glucose-6-phosphatase, glucose-6-phosphate isomerase and triosephosphate isomerase have a significant content of valine-leucine, based in this we conclude these enzymes are more prone to suffer an effect that may cause inhibition in their functioning because to the high-value interaction of the enzymes with Hypoglycin A.

Keywords: Hypoglycin-A, Semi-empirical method (SE-PM3), gluconeogenesis, lychee fruit, molecular electronic interaction, NCBI database.