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[Una estrategia integradora de descubrimiento de fármacos utilizando datos del mundo real, modelado en silico y

Hirofumi Hamano¹, Yuta Tanaka², Yoshito Zamami¹

¹Department of Pharmacy, Medical Development Field, Okayama University.

Nihon yakurigaku zasshi. Folia pharmacologica Japonica

|August 31, 2025

Resumen

Este estudio integra datos del mundo real, cribado in silico y farmacología en red para descubrir nuevas terapias. Identifica posibles candidatos para el reposicionamiento de fármacos y tratamientos que mitigan la seguridad para diversas afecciones.

Área de la Ciencia:

Biología computacional
Farmacología
La bioinformática

Sus antecedentes:

Los inhibidores del punto de control inmunológico pueden causar miocarditis.
La resistencia al trastuzumab es un desafío en el cáncer de mama HER2-positivo.
La neuropatía periférica inducida por medicamentos es un efecto secundario significativo de algunos medicamentos.

Objetivo del estudio:

Evaluar una estrategia integrada de descubrimiento de fármacos que combine datos del mundo real, cribado in silico y farmacología en red.
Identificar posibles intervenciones terapéuticas y estrategias para mitigar el riesgo de reacciones adversas específicas a fármacos y cánceres resistentes.
Demostrar la utilidad de los enfoques basados en datos de múltiples capas en el descubrimiento de fármacos.

Principales métodos:

Análisis de datos transcriptómicos y informes de eventos adversos para el estudio de la miocarditis.
Quimioinformática, aprendizaje automático y simulaciones de acoplamiento para el cribado in silico de medicamentos.
Análisis en red de módulos genéticos para investigar la neuropatía periférica inducida por fármacos.

Principales resultados:

Los antiinflamatorios no esteroideos dirigidos al metabolismo del ácido araquidónico pueden prevenir la miocarditis.
Se identificaron nuevos inhibidores de la cinasa YES1 para el cáncer de mama resistente al trastuzumab.
Ciertas estatinas pueden proteger contra la neuropatía periférica inducida por fármacos a través de objetivos compartidos y vías neurodegenerativas.

Conclusiones:

La integración de diversas modalidades de datos (transcriptómica, estructuras químicas, redes, datos del mundo real) facilita el descubrimiento de fármacos.
Esta estrategia basada en datos puede identificar candidatos de reposicionamiento de fármacos y terapias que mitiguen los riesgos.
Los enfoques multicapa son prometedores para el desarrollo de marcos de descubrimiento de fármacos traslacionales centrados en la eficacia y la seguridad.

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