Determinación del mecanismo de activación biológica del Misoprostol en receptores EP3 de las capas musculares lisas circular y longitudinal del estómago
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Date
2024
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Publisher
PUCE - Quito
Abstract
En este estudio computacional se realizó la optimización de dos moléculas análogas entre sí, el Misoprostol y la prostaglandina E1 (PGE1) y el acoplamiento con la enzima 15 - prostaglandina deshidrogenasa (15-PGDH). El objetivo principal de este estudio fue determinar cómo empieza el mecanismo biológico del misoprostol, comparar la eficacia del fármaco con su análogo orgánico y determinar el uso en ulceras gástricas provocadas por antiinflamatorios no esteroideos (AINE). Esta comparación determinó que tanto en la optimización estructural como en el acoplamiento dentro de la enzima el misoprostol tiene una mejor estabilidad y afinidad, lo que indica que su eficacia es alta para los receptores EP3, que son los encargados de reducir los ácidos gástricos dentro de las paredes estomacales y promover el aumento de las pacas protectoras dentro de las misma.
In this computational study, the optimization of two analogous molecules, Misoprostol and prostaglandin E1 (PGE1), and the coupling with the enzyme 15-prostaglandin dehydrogenase (15-PGDH) was carried out. The main objective of this study was to determine how the biological mechanism of misoprostol begins, compare the effectiveness of the drug with its organic analogue and determine its effectiveness for use in gastric ulcers caused by NSAID medications. This comparison determined that both, structural optimization and coupling within the enzyme, misoprostol has better stability and affinity, this assures us that its efficiency performance is high for the EP3 receptors which are responsible for reducing gastric acids within of the stomach walls and promote the increase of the protective bales within it.
In this computational study, the optimization of two analogous molecules, Misoprostol and prostaglandin E1 (PGE1), and the coupling with the enzyme 15-prostaglandin dehydrogenase (15-PGDH) was carried out. The main objective of this study was to determine how the biological mechanism of misoprostol begins, compare the effectiveness of the drug with its organic analogue and determine its effectiveness for use in gastric ulcers caused by NSAID medications. This comparison determined that both, structural optimization and coupling within the enzyme, misoprostol has better stability and affinity, this assures us that its efficiency performance is high for the EP3 receptors which are responsible for reducing gastric acids within of the stomach walls and promote the increase of the protective bales within it.
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Keywords
Farmacología - Modelado molecular, Acoplamiento molecular - Simulación por computador, Misoprostol - Mecanismo de acción, Prostaglandinas E1, Receptores de prostaglandinas, Hidroxiprostaglandina deshidrogenasas, Úlcera gástrica - Tratamiento farmacológico, Antiinflamatorios no esteroideos