Búsqueda de interacciones off-target usando el fármaco Amiodarona como caso de estudio
Adverse drug reactions (ADRs) are those harmful and unintended responses to a drug at normal doses that lead to a risk situation for the patient. According to previous studies of Lazarou and Pirmohamed, it was shown that the ADRs of, specifically, drugs that act on the cardiovascular system, cause an increase in hospital admission and mortality, which represents an important clinical problem. Because of this, the need arises to investigate these adverse effects to ultimately reduce hospital admissions, as well as improve the quality of life of the patient. Due to the great advance of bioinformatics in recent decades and, especially, in the area of molecular docking, today we find multiple software designed to solve this need. The tool chosen for this was BioGPS, a novel application for the comparison and grouping of protein pockets. The research was carried out with the antiarrhythmic drug Amiodarone, to find and report protein pockets responsible for producing off-target effects. Four notable adverse effects were obtained for this drug: hepatic steatosis, oxidative stress, metabolic acidosis/diuresis, and pulmonary toxicity. The first three were obtained by BioGPS, the last was notified by means of a bibliographic search. With the results obtained, a new horizon opens up in the area of drug design and safety, with the ultimate goal of being able to report ADRs more efficiently in order to improve the health and quality of life of patients.
molecular docking, virtual screening, amiodarone, ADR, hospital admissions, acoplamiento molecular, cribado virtual, amiodarona, RAM, ingresos hospitalarios, acoblament molecular, cribratge virtual, ingressos hospitalaris
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