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PI3K 酶的 ATP 竞争性抑制剂通过控制膜结合表现出一种具有同型选择性的双重作用。

ATP-competitive inhibitors of PI3K enzymes demonstrate an isoform selective dual action by controlling membrane binding.

机构信息

Department of Molecular Medicine, The University of Auckland, Auckland, New Zealand.

Maurice Wilkins Centre for Molecular Biodiscovery, The University of Auckland, Auckland, New Zealand.

出版信息

Biochem J. 2024 Dec 4;481(23):1787-1802. doi: 10.1042/BCJ20240479.

DOI:10.1042/BCJ20240479
PMID:39485310
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7617104/
Abstract

PI3Kα, consisting of the p110α isoform of the catalytic subunit of PI 3-kinase (encoded by PIK3CA) and the p85α regulatory subunit (encoded by PI3KR1) is activated by growth factor receptors. The identification of common oncogenic mutations in PIK3CA has driven the development of many inhibitors that bind to the ATP-binding site in the p110α subunit. Upon activation, PI3Kα undergoes conformational changes that promote its membrane interaction and catalytic activity, yet the effects of ATP-site directed inhibitors on the PI3Kα membrane interaction are unknown. Using FRET and biolayer interferometry assays, we show that a class of ATP-site directed inhibitors represented by GSK2126458 block the growth factor activated PI3KαWT membrane interaction, an activity dependent on the ligand forming specific ATP-site interactions. The membrane interaction for hot spot oncogenic mutations that bypass normal p85α regulatory mechanisms was insensitive to GSK2126458, while GSK2126458 could regulate mutations found outside of these hot spot regions. Our data show that the effect of GSK126458 on the membrane interaction requires the enzyme to revert from its growth factor activated state to a basal state. We find that an ATP substrate analogue can increase the wild type PI3Kα membrane interaction, uncovering a substrate based regulatory event that can be mimicked by different inhibitor chemotypes. Our findings, together with the discovery of small molecule allosteric activators of PI3Kα illustrate that PI3Kα membrane interactions can be modulated by factors related to ligand binding both within the ATP site and at allosteric sites.

摘要

PI3Kα 由 PI 3-激酶的催化亚基的 p110α 同工型(由 PIK3CA 编码)和 p85α 调节亚基(由 PI3KR1 编码)组成,它被生长因子受体激活。PIK3CA 中的常见致癌突变的鉴定推动了许多抑制剂的开发,这些抑制剂与 p110α 亚基的 ATP 结合位点结合。PI3Kα 激活后,发生构象变化,促进其与膜的相互作用和催化活性,但 ATP 结合位点定向抑制剂对 PI3Kα 与膜相互作用的影响尚不清楚。使用 FRET 和生物层干涉测定法,我们表明,一类以 GSK2126458 为代表的 ATP 结合位点定向抑制剂可阻断生长因子激活的 PI3KαWT 与膜的相互作用,该活性依赖于形成特定 ATP 结合位点相互作用的配体。对于绕过正常 p85α 调节机制的热点致癌突变,GSK2126458 对其与膜的相互作用不敏感,而 GSK2126458 可以调节这些热点区域之外的突变。我们的数据表明,GSK126458 对膜相互作用的影响要求酶从其生长因子激活状态返回到基础状态。我们发现,一种 ATP 底物类似物可以增加野生型 PI3Kα 与膜的相互作用,揭示了一种基于底物的调节事件,不同的抑制剂化学型可以模拟该事件。我们的发现,以及 PI3Kα 的小分子别构激活剂的发现,表明 PI3Kα 与膜的相互作用可以通过与配体结合相关的因素进行调节,包括 ATP 结合位点和别构位点。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e761/11668364/41909fb2e379/BCJ-481-1787-g0007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e761/11668364/f82c12aa87fa/BCJ-481-1787-g0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e761/11668364/abaad458c468/BCJ-481-1787-g0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e761/11668364/8403596447de/BCJ-481-1787-g0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e761/11668364/a934be866cdc/BCJ-481-1787-g0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e761/11668364/2df99d759c03/BCJ-481-1787-g0005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e761/11668364/daf27d4d815c/BCJ-481-1787-g0006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e761/11668364/41909fb2e379/BCJ-481-1787-g0007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e761/11668364/f82c12aa87fa/BCJ-481-1787-g0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e761/11668364/abaad458c468/BCJ-481-1787-g0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e761/11668364/8403596447de/BCJ-481-1787-g0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e761/11668364/a934be866cdc/BCJ-481-1787-g0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e761/11668364/2df99d759c03/BCJ-481-1787-g0005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e761/11668364/daf27d4d815c/BCJ-481-1787-g0006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e761/11668364/41909fb2e379/BCJ-481-1787-g0007.jpg

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