Monday, 04 May 2020 18:54

Una herramienta del CNB-CSIC integra información de todo el mundo sobre la estructura atómica del SARS-CoV2

  • La aplicación web, denominada 3DBionotes-Covid-19, rastrea e integra fuentes de información internacionales sobre el SARS-CoV-2, agente causante de la pandemia

  • Esta plataforma enmarca todos los datos en un entorno tridimensional a nivel atómico y los pone a disposición de la comunidad científica internacional

Investigadores del Consejo Superior de Investigaciones Científicas (CSIC) en el Centro Nacional de Biotecnología (CNB-CSIC) han puesto a disposición de la comunidad científica una herramienta de computación que rastrea bases de datos y pone en común múltiples fuentes de información sobre el coronavirus SARS-CoV-2, causante de la pandemia de Covid-19. Este nueva herramienta de análisis, denominada 3DBionotes-Covid, integra toda esa información en un entorno interactivo tridimensional a nivel atómico. Esta nueva aplicación pone de manifiesto el papel esencial de las infraestructuras de investigación del Foro Estratégico Europeo (ESFRI) y de la participación española en ellas, puesto que su desarrollo nace de la confluencia en el CNB-CSIC de dos de estas grandes infraestructuras, Instruct (en el marco de la Biología Estructural) y ELIXIR (en Bioinformática), de las que España es socio. La aplicación se encuentra disponible tanto desde el CNB-CSIC como desde los nodos españoles de Instruct y de Elixir.

“3DBionotes-Covid 19 accede a bases de datos donde se encuentran diversos modelos atómicos de las proteínas virales (experimentales o sugeridos computacionalmente), al mismo tiempo que a múltiples bases de datos sobre características de las proteínas que participan en estos modelos atómicos. El objetivo es que el investigador siempre pueda “navegar” entre estructuras y características, pudiendo hacer interactivamente minería de datos en un espacio complejo y multidimensional”, explica el profesor del CSIC Jose María Carazo, a cargo de este proyecto.

Aunque, naturalmente, la mayor parte de la búsqueda de información se realiza de forma automática, el caso de Covid-19 es tan singular que los investigadores del CNB- CSIC han tenido que integrar de forma manual información contenida en archivos diversos, como los generados por el Centro Nacional de Datos Genómicos Chino.

3DBionotes-Covid-19 también contiene información sobre experimentos de unión entre proteínas virales y pequeñas moléculas que puedan ser, en el futuro, precursores de los tan deseados antivirales.

“Lo que pretendemos al crear 3DBionotes-Covid es ayudar a la comunidad científica internacional a entender mejor toda la información sobre Covid-19 que se está generando mundialmente a un ritmo vertiginoso. Especialmente, aquella que solo se comprende en su integridad si se relaciona con la estructura atómica de sus componentes. En otras palabras, 3DBionotes-Covid-19 reducirá el riesgo de generar información y no darnos cuenta de lo que significa, ayudándonos a interpretarla en su contexto estructural”, indica Carazo.

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