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Abstract

QUANTUM ANALYSIS OF THE INTERACTION OF VORTIOXETINE VS. NEUROTRANSMITTERS.

Bernardo Ojeda-Lara, Jesús Francisco Mondragón-Jiménez, Carlos Arturo Brito-Pérez, Adrián Alvarez-Aguilar, Francisco José Rosales-Hernández and Manuel González Pérez*

ABSTRACT

Vortioxetine (Vx) is a drug recently approved by the Food and Drug Administration (FDA) for the treatment of major depressive disorder (MDD) which is a disease that mainly affects the emotional state of people. The main objective of this work is to determine the interaction between Vx and the neurotransmitters (NT) using the semi-empirical quantum method Parametrical Method 3 (SE-PM3). Researchers use Hyperchem to analyze the Electron Transfer Coefficient (ETC) of compounds and to identify possible interactions between compounds. As results we obtained by the quantum method that the interaction between Vx and adrenalin (AD) had the lowest ETC while the interaction between Vx and noradrenaline (NE) had the highest ETC. Therefore, we conclude that Vx is a good antioxidant agent for AD because there is a high electron transfer from Vx to AD and Vx is not a good antioxidant agent for NE because there is a low Transfer of electrons from the Vx to NE.

Keywords: Vortioxetine, Adrenalin, Quantum method, Hyperchem, SE-PM3.


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