Artículos
Año 8 No. 23 Mayo - Agosto 2022
ACOPLAMIENTO MOLECULAR. UNA BREVE REVISIÓN A LOS AVANCES RECIENTES SOBRE CÁNCER
Resumen
Resumen
Dentro del campo de la química computacional, el acoplamiento molecular o molecular docking ha
sido una metodología con un amplio auge. Las problemáticas actuales, tales como los elevados costos que
involucran la investigación de nuevos fármacos, la gestión de residuos peligrosos o la remediación de espacios
contaminados, han elevado el interés en los métodos computacionales que ayudan a optimizar estos procesos.
Aunque la reducción de costos que ofrece el diseño asistido por computadora es alta, se debe considerar
que entre más complejos sean los sistemas que se evalúen, se incrementarán tanto el costo como el tiempo
que consumen los cálculos correspondientes para realizar una predicción adecuada, resultando en un efecto
inverso al buscado. Afortunadamente, tal y como fue predicho por la ley de Moore, la potencia de los nuevos
procesadores se duplica con respecto a sus predecesores cada determinado tiempo, resultando en equipos
con una capacidad de realizar más cálculos en menos tiempo y en nuevo software con menores limitaciones
para realizar tareas más complejas. Lo anterior también ha beneficiado la eficacia de las herramientas para
realizar acoplamiento molecular, con lo cual a medida que se incrementa el poder de cómputo, disminuye la
dificultad de evaluar sistemas más grandes y complejos.[1] El objetivo de este trabajo es proporcionar una
breve revisión de la teoría, así como de los avances realizados usando esta herramienta en la investigación
sobre cáncer.
Citas
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