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Effects of single and double mutations on the MYC promoter G-quadruplex using a custom G4 DNA microarray: conformational landscape and nearby guanine compensation.

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A small molecule disrupts G4-STAT1 interaction and synergizes with olaparib to drive cancer cell death.

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Oxidative Damage Fine-Tunes G-Quadruplex Structures in Human Gene Promoters.

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Estructura de la solución del complejo ternario de berberina unido a un cuádruple vacante de relleno de dGMP formado

Kai-Bo Wang, Jonathan Dickerhoff, Danzhou Yang

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    |September 29, 2021
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    La berberina estabiliza una estructura G-cuadruplex única en el promotor del gen PDGFR-β. Este descubrimiento revela cómo las moléculas pequeñas pueden atacar estas estructuras, ayudando al desarrollo de fármacos contra el cáncer.

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    Área de la Ciencia:

    • Biología estructural
    • Química medicinal
    • Biología molecular

    Sus antecedentes:

    • Las G-cuadruplexas (G4s) en el promotor del gen PDGFR-β regulan la transcripción.
    • La berberina (BER) es un compuesto natural con potencial anticancerígeno.
    • El promotor de PDGFR-β forma una única vacante G4 (vG4) estabilizada por metabolitos de guanina como el dGMP.

    Objetivo del estudio:

    • Determinar la estructura de RMN de alta resolución de un complejo ternario formado por berberina, dGMP y el PDGFR-β vG4.
    • Para elucidar las interacciones de unión y los mecanismos de estabilización de la berberina con el relleno dGMP-vG4.

    Principales métodos:

    • Espectroscopia de resonancia magnética nuclear (RMN) de alta resolución.
    • Elucidación estructural de complejos de ácido nucleico y moléculas pequeñas.

    Principales resultados:

    • Se determinó la primera estructura compleja de molécula pequeña de un vG4 de relleno.
    • Se observó una estequiometría de 2:1:1 de berberina:dGMP:PDGFR-β vG4.
    • La berberina forma "cuasi planos de tríada" con los residuos de adenina, estabilizando el rellenado dGMP-vG4 a través de la apilamiento de π y las interacciones electrostáticas.

    Conclusiones:

    • La estructura de RMN proporciona una base molecular para la interacción de la berberina con el PDGFR-β vG4.
    • Esta estructura puede guiar el diseño de nuevos análogos de berberina y conjugados de guanina de molécula pequeña para apuntar a vG4.
    • Los hallazgos ofrecen información sobre el desarrollo de nuevas terapias contra el cáncer dirigidas a las estructuras G4.