Publication: Discovery of BAZ2A bromodomain ligands
Discovery of BAZ2A bromodomain ligands
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Spiliotopoulos, D., Wamhoff, E.-C., Lolli, G., Rademacher, C., & Caflisch, A. (2017). Discovery of BAZ2A bromodomain ligands. European Journal of Medicinal Chemistry, 139, 564–572. https://doi.org/10.1016/j.ejmech.2017.08.028
Abstract
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The bromodomain adjacent to zinc finger domain protein 2A (BAZ2A) is implicated in aggressive prostate cancer. The BAZ2A bromodomain is a challenging target because of the shallow pocket of its natural ligand, the acetylated side chain of lysine. Here, we report the successful screening of a library of nearly 1500 small molecules by high-throughput docking and force field-based binding-energy evaluation. For seven of the 20 molecules selected in silico, evidence of binding to the BAZ2A bromodomain is provided by ligand-observed NMR sp
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- Spiliotopoulos, Dimitrios
- Wamhoff, Eike-Christian
- Lolli, Graziano
- Rademacher, Christoph
- Caflisch, Amedeo
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Spiliotopoulos, D., Wamhoff, E.-C., Lolli, G., Rademacher, C., & Caflisch, A. (2017). Discovery of BAZ2A bromodomain ligands. European Journal of Medicinal Chemistry, 139, 564–572. https://doi.org/10.1016/j.ejmech.2017.08.028
