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Etude de la structure et la dynamique de Mcl-1 : application en cancérologie

Abstract : This work, which aims to study the structure and dynamics of Mcl-1, an anti-apoptotic protein of interest in cancer, was carried out in three parts.A first study focused on a characterization of the interaction mode of Pyridoclax (a BH3-mimetic) with Mcl-1 by experimental (NMR) and theoretical approaches (molecular dynamics simulations). A second part is devoted to the study and characterization of the conformational space of Mcl-1 and its mode of allosteric inhibition. In the last part of this work, Metadynamics simulations on essential dynamics space as a general approach for Mcl-1’s cryptic pockets detection were evaluated.
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  • HAL Id : tel-03476076, version 1

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Mohammed Benabderrahmane. Etude de la structure et la dynamique de Mcl-1 : application en cancérologie. Chimie thérapeutique. Normandie Université, 2020. Français. ⟨NNT : 2020NORMC426⟩. ⟨tel-03476076⟩

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