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SARS-CoV-2 木瓜蛋白酶样蛋白酶结构域的别构抑制剂诱导其母体蛋白 NSP3 的蛋白酶体降解。

Allosteric Inhibitors of the SARS-COV-2 Papain-like Protease Domain Induce Proteasomal Degradation of Its Parent Protein NSP3.

机构信息

Discovery Chemistry, Genentech, South San Francisco, California 94080, United States.

Discovery Oncology, Genentech, South San Francisco, California 94080, United States.

出版信息

ACS Chem Biol. 2024 Jan 19;19(1):22-36. doi: 10.1021/acschembio.3c00312. Epub 2023 Dec 27.

Abstract

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.

摘要

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。

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