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MolGlueDB: una base de datos en línea de pegamentos moleculares
Xiao Wang1,2, Zhiyao Zhuang1, Chengwei Zhang1
1Key Laboratory of Marine Drugs, Chinese Ministry of Education, School of Medicine and Pharmacy, Ocean University of China, Qingdao, Shandong 266003, China.
Nucleic acids research
|August 22, 2025
Resumen
MolGlueDB es una nueva base de datos para los degradadores moleculares de pegamento (MGD), que ofrece información sobre la degradación de proteínas dirigidas. Este recurso ayuda en el diseño racional de MGD para el descubrimiento acelerado de fármacos.
Área de la Ciencia:
- Descubrimiento y desarrollo de fármacos
- Biología molecular
- Química medicinal
Sus antecedentes:
- Los degradantes moleculares de pegamento (MGD) y las quimeras dirigidas a la proteólisis (PROTAC) son estrategias clave en la degradación dirigida de proteínas.
- Los MGD ofrecen ventajas en propiedades similares a las de los fármacos debido a sus estructuras compactas y monoafinativas en comparación con los PROTAC.
- A pesar del progreso, el desarrollo de MGD se enfrenta a desafíos debido a mecanismos novedosos y diseño complejo.
Objetivo del estudio:
- Para crear MolGlueDB, una base de datos de acceso abierto para MGD.
- Consolidar datos exhaustivos sobre las MGD procedentes de la literatura científica.
- Facilitar el diseño racional y acelerar el descubrimiento de fármacos en la degradación de proteínas dirigidas.
Principales métodos:
- Datos compilados de 241 publicaciones (enero de 2001-mayo de 2025).
- Desarrolló una plataforma basada en la web con funcionalidades de búsqueda basadas en texto y estructura.
- Se incluyen datos sobre estructuras químicas, afinidades de unión, capacidades de degradación, actividades biológicas y propiedades fisicoquímicas.
Principales resultados:
- MolGlueDB contiene 1840 entradas, incluidos 1629 MGD distintos, 28 proteínas de reclutamiento y 94 objetivos.
- La base de datos integra datos sobre las estructuras químicas, las afinidades, la degradación, la actividad biológica y las propiedades.
- La plataforma permite a los usuarios refinar las búsquedas por atributos moleculares específicos.
Conclusiones:
- MolGlueDB sirve como un recurso valioso para los investigadores en la degradación de proteínas dirigidas.
- La base de datos apoya el diseño racional de MGD, acelerando los esfuerzos de descubrimiento de fármacos.
- Accesible en https://www.molgluedb.com, MolGlueDB promueve los avances en la investigación de MGD.
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