通过“守门人之门”：利用活性激酶构象 - Suppr

Suppr

超能文献

Through the "gatekeeper door": exploiting the active kinase conformation.

作者信息

Zuccotto Fabio, Ardini Elena, Casale Elena, Angiolini Mauro

机构信息

Department of Chemical Core Technologies, Nerviano Medical Sciences, Oncology, Viale Pasteur 10, Nerviano 20014, Italy.

出版信息

J Med Chem. 2010 Apr 8;53(7):2681-94. doi: 10.1021/jm901443h.

DOI:10.1021/jm901443h

PMID:20000735

Abstract

摘要

相似文献

Through the "gatekeeper door": exploiting the active kinase conformation.通过“守门人之门”：利用活性激酶构象

J Med Chem. 2010 Apr 8;53(7):2681-94. doi: 10.1021/jm901443h.

A new paradigm for protein kinase inhibition: blocking phosphorylation without directly targeting ATP binding.蛋白激酶抑制的新范式：在不直接靶向ATP结合的情况下阻断磷酸化。

Drug Discov Today. 2007 Aug;12(15-16):622-33. doi: 10.1016/j.drudis.2007.06.008. Epub 2007 Aug 2.

Bisubstrate inhibitors of protein kinases: from principle to practical applications.双底物蛋白激酶抑制剂：从原理到实际应用。

ChemMedChem. 2010 Jan;5(1):23-34. doi: 10.1002/cmdc.200900252.

The 'retro-design' concept for novel kinase inhibitors.新型激酶抑制剂的“复古设计”概念

IDrugs. 2010 Jul;13(7):457-66.

Strategies for the NMR-based identification and optimization of allosteric protein kinase inhibitors.基于核磁共振的变构蛋白激酶抑制剂鉴定与优化策略。

Chembiochem. 2005 Sep;6(9):1607-10. doi: 10.1002/cbic.200500100.

Doing more than just the structure-structural genomics in kinase drug discovery.激酶药物研发不仅仅局限于结构——结构基因组学。

Curr Opin Chem Biol. 2008 Feb;12(1):40-5. doi: 10.1016/j.cbpa.2008.01.042. Epub 2008 Feb 29.

Molecular recognition of protein kinase binding pockets for design of potent and selective kinase inhibitors.用于设计强效和选择性激酶抑制剂的蛋白激酶结合口袋的分子识别

J Med Chem. 2007 Feb 8;50(3):409-24. doi: 10.1021/jm0608107.

High-throughput kinase profiling as a platform for drug discovery.高通量激酶分析作为药物发现的一个平台。

Nat Rev Drug Discov. 2008 May;7(5):391-7. doi: 10.1038/nrd2541.

kinDOCK: a tool for comparative docking of protein kinase ligands.kinDOCK：一种用于蛋白质激酶配体比较对接的工具。

Nucleic Acids Res. 2006 Jul 1;34(Web Server issue):W325-9. doi: 10.1093/nar/gkl211.

Finding protein kinase hits using structural information.利用结构信息寻找蛋白激酶作用靶点。

Prog Med Chem. 2006;44:1-63. doi: 10.1016/S0079-6468(05)44401-X.

引用本文的文献

Structure-Activity Relationships of Inactive-Conformation Binding EGFR Inhibitors: Linking the ATP and Allosteric Pockets.非活性构象结合表皮生长因子受体抑制剂的构效关系：连接ATP和变构口袋

Arch Pharm (Weinheim). 2025 Jul;358(7):e70027. doi: 10.1002/ardp.70027.

Computational Structural Comparison of Toxoplasma gondii CDPK1 and Human BUB1 kinases: Implications for Selective Inhibitor Design.刚地弓形虫CDPK1与人BUB1激酶的计算结构比较：对选择性抑制剂设计的启示

ACS Omega. 2025 Jun 11;10(24):25415-25431. doi: 10.1021/acsomega.5c00640. eCollection 2025 Jun 24.

Advanced modeling of salt-inducible kinase (SIK) inhibitors incorporating protein flexibility through molecular dynamics and cross-docking.通过分子动力学和交叉对接纳入蛋白质柔性的盐诱导激酶（SIK）抑制剂的高级建模。

Sci Rep. 2025 May 29;15(1):18868. doi: 10.1038/s41598-025-03699-w.

Recent advances and future perspectives in small molecule JAK2 inhibitors.小分子JAK2抑制剂的最新进展与未来展望

Future Med Chem. 2025 May;17(10):1175-1191. doi: 10.1080/17568919.2025.2507564. Epub 2025 May 20.

Probing the Effect of Protein and Inhibitor Conformational Flexibility on the Reaction of Rocelitinib-Like Covalent Inhibitors of Epidermal Growth Factor Receptor. A Quantum Mechanics/Molecular Mechanics Study.探究蛋白质和抑制剂构象灵活性对表皮生长因子受体类共价抑制剂罗塞替尼反应的影响。一项量子力学/分子力学研究。

J Chem Inf Model. 2025 Apr 14;65(7):3555-3567. doi: 10.1021/acs.jcim.4c01985. Epub 2025 Mar 18.

Structural insights of AKT and its activation mechanism for drug development.AKT的结构见解及其药物开发的激活机制。

Mol Divers. 2025 Feb 26. doi: 10.1007/s11030-025-11132-7.

Mapping kinase domain resistance mechanisms for the MET receptor tyrosine kinase via deep mutational scanning.通过深度突变扫描绘制MET受体酪氨酸激酶的激酶结构域耐药机制图谱。

Elife. 2025 Feb 17;13:RP101882. doi: 10.7554/eLife.101882.

Prediction of angiogenesis suppression by myricetin from via inhibiting VEGFR2 signaling pathway using computer-aided analysis.通过计算机辅助分析预测杨梅素通过抑制VEGFR2信号通路抑制血管生成。

Heliyon. 2025 Jan 7;11(2):e41749. doi: 10.1016/j.heliyon.2025.e41749. eCollection 2025 Jan 30.

Analysis of postmarketing neuropsychiatric adverse events of avapritinib based on the FDA adverse event reporting system.基于美国食品药品监督管理局不良事件报告系统的阿伐替尼上市后神经精神不良事件分析

Sci Rep. 2025 Jan 24;15(1):3108. doi: 10.1038/s41598-025-86959-z.

Probing structural requirements for thiazole-based mimetics of sunitinib as potent VEGFR-2 inhibitors.探究基于噻唑的舒尼替尼模拟物作为强效VEGFR-2抑制剂的结构要求。

RSC Med Chem. 2025 Jan 22. doi: 10.1039/d4md00754a.

文献AI研究员

20分钟写一篇综述，助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型，支持多种主流文档格式。

立即体验