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Encontrando nuestro camino en el Proteoma Oscuro

Asmit Bhowmick, David H Brookes, Shane R Yost

  • 1Department of Integrative Structural and Computational Biology, Scripps Research Institute , La Jolla, California 92037, United States.

Journal of the American Chemical Society
|July 9, 2016
PubMed
Resumen

Las proteínas intrínsecamente desordenadas (IDP) son un desafío para la biología estructural tradicional. Se necesitan nuevos enfoques experimentales y computacionales integrados para revelar sus funciones.

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Área de la Ciencia:

  • Biología estructural
  • Biología computacional
  • La biofísica

Sus antecedentes:

  • Los métodos tradicionales como la cristalografía de rayos X sobresalen para las proteínas bien plegadas.
  • Una parte significativa del proteoma humano se compone de proteínas y regiones intrínsecamente desordenadas (IDP / IDR).
  • Los IDP/IDR carecen de estructuras estables, por lo que son difíciles de estudiar con técnicas convencionales y contribuyen al "proteoma oscuro".

Objetivo del estudio:

  • Abordar los desafíos en la caracterización de los conjuntos estructurales de proteínas intrínsecamente desordenadas (IDP).
  • Explorar la necesidad de estrategias experimentales y computacionales integradas para estudiar el "proteoma oscuro".

Principales métodos:

  • Integración de diversos experimentos basados en soluciones.
  • Utilizando el estado de la técnica de simulación molecular.
  • Aplicación de modelos probabilísticos bayesianos y cálculo de alto rendimiento.
  • Desarrollo de un concepto de "línea de haz computacional".

Principales resultados:

  • Los métodos tradicionales no logran capturar los subestados conformacionales dinámicos de los PDI.
  • La determinación de las estructuras del PID requiere un enfoque multifacético que combine varias técnicas.
  • La "línea de haz computacional" propuesta integra datos experimentales y computacionales.

Conclusiones:

  • Un nuevo enfoque integrado es esencial para entender el "Proteoma Oscuro".
  • La "línea de haz computacional" ofrece una vía para identificar las características funcionales dentro de los conjuntos estructurales de IDP.
  • Esta perspectiva destaca las direcciones futuras para el estudio de proteínas intrínsecamente desordenadas.