Helmholtz Zentrum München, Ingolstädter Landstr. 1, 85764, Neuherberg, Germany.
Center for Integrated Protein Science Munich (CIPSM), Department Chemie, Technische Universität München, Lichtenbergstrasse 4, 85748, Garching, Germany.
Nat Commun. 2020 Nov 6;11(1):5621. doi: 10.1038/s41467-020-19514-1.
Interactions between U2AF homology motifs (UHMs) and U2AF ligand motifs (ULMs) play a crucial role in early spliceosome assembly in eukaryotic gene regulation. UHM-ULM interactions mediate heterodimerization of the constitutive splicing factors U2AF65 and U2AF35 and between other splicing factors that regulate spliceosome assembly at the 3' splice site, where UHM domains of alternative splicing factors, such as SPF45 and PUF60, contribute to alternative splicing regulation. Here, we performed high-throughput screening using fluorescence polarization assays with hit validation by NMR and identified phenothiazines as general inhibitors of UHM-ULM interactions. NMR studies show that these compounds occupy the tryptophan binding pocket of UHM domains. Co-crystal structures of the inhibitors with the PUF60 UHM domain and medicinal chemistry provide structure-activity-relationships and reveal functional groups important for binding. These inhibitors inhibit early spliceosome assembly on pre-mRNA substrates in vitro. Our data show that spliceosome assembly can be inhibited by targeting UHM-ULM interactions by small molecules, thus extending the toolkit of splicing modulators for structural and biochemical studies of the spliceosome and splicing regulation.
U2AF 同源基序 (UHMs) 和 U2AF 配体基序 (ULMs) 之间的相互作用在真核基因调控中的早期剪接体组装中起着至关重要的作用。UHMs-ULMs 相互作用介导组成性剪接因子 U2AF65 和 U2AF35 的异二聚化,以及调节 3'剪接位点剪接体组装的其他剪接因子之间的相互作用,其中替代剪接因子的 UHM 结构域,如 SPF45 和 PUF60,有助于替代剪接调节。在这里,我们使用荧光偏振测定法进行了高通量筛选,并通过 NMR 进行了命中验证,确定了吩噻嗪类化合物是 UHM-ULMs 相互作用的通用抑制剂。NMR 研究表明,这些化合物占据 UHM 结构域的色氨酸结合口袋。抑制剂与 PUF60 UHM 结构域的共晶结构和药物化学提供了结构-活性关系,并揭示了结合的重要功能基团。这些抑制剂在体外抑制前体 mRNA 底物上的早期剪接体组装。我们的数据表明,通过小分子靶向 UHM-ULMs 相互作用可以抑制剪接体组装,从而扩展剪接调节剂工具包,用于剪接体的结构和生化研究以及剪接调节。