Abstract

QUANTUM ANALYSIS OF THE INTERACTION OF SALBUTAMOL AND NT

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

ABSTRACT

Salbutamol (SB) is a beta-adrenergic stimulant that has particular action on beta-2-adrenergic receptors (β2ARs). Patients report improvement in their condition after SB consumption. The SB improves lung function in healthy humans. Although, its use has systemic cardiovascular effects and elevation of blood pressure. Bronchodilator drugs are widely used therapeutic agents for the treatment of asthma and chronic obstructive pulmonary disease (COPD). COPD and asthma are two highly prevalent inflammatory diseases characterized by airflow obstruction. The objective of this work was to investigate how the SB interacts with the neurotransmitters (NT). We used the quantum semi-empirical parametric method 3 (SE-PM3) for Bandgap (BG), electrostatic potential (EP) and electron transfer coefficient (ETC, adimensionless) calculations. We used the HyperChem molecular simulator for Windows Serial # 12-800-1501800080 SE-PM3 to extract the molecules. Serotonin is the one with whom the SB most interacts with all NTs. We also found that SB does not interact as an antioxidant in NTs and that SB has less affinity with noradrenaline.

Keywords: Salbutamol, Neurotransmitters, SE-PM3, ?2ARs receptors.