Abstract

DEMONSTRATION OF NICOTINE DEPENDENCY BY INTERACTING WITH NEUROTRANSMITTERS (GABA AND NOR) USING QUANTUM CHEMISTRY

Diana Laura Pino-Dircio, Adrián Mundo-Álvarez, Yahir Emmanuel Saldaña-Rodriguez, Alexis Yael López-Cortes, Olivia Alejandra García-Paz, Edith González-Castillo, Verónica Hernández-Fernández and Manuel González-Pérez*

ABSTRACT

Nicotine (NIC) is the main psychoactive agent present in tobacco leaves. This substance is a source of stimuli directed to the entire organism. Specific receptors in areas of the central nervous system release other transmitters responsible for producing pleasurable sensations. This research aims to analyze the interaction of NIC with the neurotransmitters GABA and norepinephrine (NOR) by applying quantum chemistry. The HyperChem simulator was used as a quantum chemistry simulator. The theory of the Electron Transfer Coefficient (ETC) was the fundamental basis of quantum calculations. We calculated the Electrostatic Potential (EP) using the Plot Molecular Graph method in three dimensions, and finally, the ETC was calculated by dividing the bandgap by the EP. We calculated the Electrostatic Potential (EP) using the Plot Molecular Graph method in three dimensions, and finally, the ETC was calculated by dividing the bandgap by the EP. As a result of the HOMO and LUMO data between NIC and GABA, it was shown that ETC is lower when NIC acts as an antioxidant of the GABA neurotransmitter. In the HOMO and LUMO analysis of NIC and NOR we obtained that the ETC is much lower, demonstrating that NIC oxidizes or inhibits the production of NOR. With these results we can conclude that the consumption of NIC enhances the production of GABA, a neurotransmitter that produces pleasant sensations of relaxation in the nervous system. On the other hand, NIC oxidizes the production of NOR, a neurotransmitter related to alertness and wakefulness in the nervous system.

Keywords: Nicotine, neurotransmitters, GABA, norepinephrine, quantum chemistry.