Abstract

ANALYSIS OF THE MOLECULAR INTERACTION OF LEVODOPA VS. AMINO ACID USING QUANTUM METHOD

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

Abstract

The pharmacological treatment of Parkinson's disease through the drug Levodopa (Lev) is used to control the symptoms and signs of it for as long as possible, minimizing the adverse effects. To date, no treatment has demonstrated modifying impact on the course of the disease. The objective of the study is to determine, using the semi-empirical parametric method 3 (SE-PM3), which amino acid has a higher affinity with Lev. The Hyperchem Professional software performed a Molecular Modeling and Analysis of Lev and different Amino Acids. The result of the simulations shows the loss of Guanine amino acid, which can be correlated with multiple pathologies linked with the side effects of said drug.

Keywords: Levodopa, Amino Acid, Quantum Method, Hyperchem, SE-PM3.