Discovery Chemistry, Genentech, South San Francisco, California 94080, United States.
Discovery Oncology, Genentech, South San Francisco, California 94080, United States.
ACS Chem Biol. 2024 Jan 19;19(1):22-36. doi: 10.1021/acschembio.3c00312. Epub 2023 Dec 27.
The papain-like protease of SARS-COV-2 is essential for viral replication and pathogenesis. Its location within a much larger multifunctional protein, NSP3, makes it an ideal candidate for a targeted degradation approach capable of eliminating multiple functions with a single-molecule treatment. In this work, we have developed a HiBiT-based cellular model to study NSP3 degradation and used this platform for the discovery of monovalent NSP3 degraders. We present previously unreported degradation activity of published papain-like protease inhibitors. Follow-up exploration of structure-activity relationships and mechanism-of-action studies points to the recruitment of the ubiquitin-proteasome machinery that is solely driven by site occupancy, regardless of molecular features of the ligand. Supported by HDX data, we hypothesize that binding-induced structural changes in NSP3 trigger the recruitment of an E3 ligase and lead to proteasomal degradation.
SARS-COV-2 的木瓜蛋白酶样蛋白酶对于病毒复制和发病机制至关重要。它位于一个更大的多功能蛋白 NSP3 内,使其成为一种理想的靶向降解方法的候选物,这种方法能够通过单一分子治疗消除多种功能。在这项工作中,我们开发了一种基于 HiBiT 的细胞模型来研究 NSP3 降解,并利用该平台发现了单价 NSP3 降解剂。我们展示了以前未报道过的已发表的木瓜蛋白酶抑制剂的降解活性。对构效关系和作用机制研究的后续探索表明,招募的是泛素-蛋白酶体机制,其仅由结合位点占据驱动,而与配体的分子特征无关。由 HDX 数据支持,我们假设 NSP3 结合诱导的结构变化触发了 E3 连接酶的招募,并导致蛋白酶体降解。