• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利:CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法,用中文像聊天一样搜索,搜遍4000万医学文献。AI智能推荐,让科研检索更轻松。

立即免费搜索

文件翻译

保留排版,准确专业,支持PDF/Word/PPT等文件格式,支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述,25分钟生成高质量综述,智能提取关键信息,辅助科研写作。

立即免费体验

从虚拟筛选中鉴定新型血清和糖皮质激素调节激酶-1 (SGK1) 配体。

Identification of a novel serum and glucocorticoid regulated kinase-1 (SGK1) ligand from virtual screening.

机构信息

Department of Pharmaceutical Sciences, College of Pharmacy, Northeast Ohio Medical University, 4209 State Route 44, Rootstown, OH 44272, USA.

出版信息

Bioorg Med Chem Lett. 2012 Sep 1;22(17):5675-8. doi: 10.1016/j.bmcl.2012.06.096. Epub 2012 Jul 15.

DOI:10.1016/j.bmcl.2012.06.096
PMID:22858098
Abstract

The serum and glucocorticoid regulated kinase-1 (SGK1) is part of the serine/threonine kinase family and has therapeutic potential in several neurodegenerative diseases such as ischemic stroke and Parkinson's disease. Here we use structure-based virtual screening to identify a novel ligand which inhibits SGK1 activity. The data presented here can be used for future scaffold hopping and possible drug development efforts.

摘要

血清和糖皮质激素调节激酶 1(SGK1)是丝氨酸/苏氨酸激酶家族的一部分,在几种神经退行性疾病中具有治疗潜力,如缺血性中风和帕金森病。在这里,我们使用基于结构的虚拟筛选来识别一种新型配体,该配体可抑制 SGK1 活性。这里呈现的数据可用于未来的支架跃迁和可能的药物开发工作。

相似文献

1
Identification of a novel serum and glucocorticoid regulated kinase-1 (SGK1) ligand from virtual screening.从虚拟筛选中鉴定新型血清和糖皮质激素调节激酶-1 (SGK1) 配体。
Bioorg Med Chem Lett. 2012 Sep 1;22(17):5675-8. doi: 10.1016/j.bmcl.2012.06.096. Epub 2012 Jul 15.
2
Virtual Screening Approach to Identify High-Affinity Inhibitors of Serum and Glucocorticoid-Regulated Kinase 1 among Bioactive Natural Products: Combined Molecular Docking and Simulation Studies.虚拟筛选方法鉴定生物活性天然产物中高亲和力的血清和糖皮质激素调节激酶 1 抑制剂:联合分子对接和模拟研究。
Molecules. 2020 Feb 13;25(4):823. doi: 10.3390/molecules25040823.
3
In silico identification and biological evaluation of novel selective serum/glucocorticoid-inducible kinase 1 inhibitors based on the pyrazolo-pyrimidine scaffold.基于吡唑并嘧啶骨架的新型选择性血清/糖皮质激素诱导激酶1抑制剂的计算机模拟鉴定与生物学评价
J Chem Inf Model. 2014 Jul 28;54(7):1828-32. doi: 10.1021/ci500235f. Epub 2014 Jun 13.
4
Identification and Kinetic Characterization of Serum- and Glucocorticoid-Regulated Kinase Inhibitors Using a Fluorescence Polarization-Based Assay.基于荧光偏振的方法鉴定和动力学表征血清和糖皮质激素调节激酶抑制剂。
SLAS Discov. 2021 Jun;26(5):655-662. doi: 10.1177/24725552211002465. Epub 2021 Mar 30.
5
Design and synthesis of orally bioavailable serum and glucocorticoid-regulated kinase 1 (SGK1) inhibitors.口服生物可利用的血清和糖皮质激素调节激酶1(SGK1)抑制剂的设计与合成。
Bioorg Med Chem Lett. 2009 Aug 1;19(15):4441-5. doi: 10.1016/j.bmcl.2009.05.051. Epub 2009 May 18.
6
Identification, structure modification, and characterization of potential small-molecule SGK3 inhibitors with novel scaffolds.鉴定、结构修饰及具有新型骨架的潜在小分子 SGK3 抑制剂的特性研究。
Acta Pharmacol Sin. 2018 Dec;39(12):1902-1912. doi: 10.1038/s41401-018-0087-6. Epub 2018 Jul 23.
7
Negative regulation of SEK1 signaling by serum- and glucocorticoid-inducible protein kinase 1.血清和糖皮质激素诱导蛋白激酶1对SEK1信号的负调控
EMBO J. 2007 Jul 11;26(13):3075-85. doi: 10.1038/sj.emboj.7601755. Epub 2007 Jun 14.
8
Computational insights into the active structure of SGK1 and its implication for ligand design.计算洞察 SGK1 的活性结构及其对配体设计的意义。
Biochimie. 2019 Oct;165:57-66. doi: 10.1016/j.biochi.2019.07.007. Epub 2019 Jul 11.
9
Integrating ligand-based and protein-centric virtual screening of kinase inhibitors using ensembles of multiple protein kinase genes and conformations.基于配体和基于蛋白质的激酶抑制剂虚拟筛选的整合,使用多个蛋白激酶基因和构象的集合。
J Chem Inf Model. 2012 Oct 22;52(10):2501-15. doi: 10.1021/ci3002638. Epub 2012 Oct 1.
10
Novel inhibitor discovery through virtual screening against multiple protein conformations generated via ligand-directed modeling: a maternal embryonic leucine zipper kinase example.通过针对配体导向建模生成的多种蛋白质构象的虚拟筛选发现新型抑制剂:以母体胚胎亮氨酸拉链激酶为例。
J Chem Inf Model. 2012 May 25;52(5):1345-55. doi: 10.1021/ci300040c. Epub 2012 May 8.

引用本文的文献

1
Discovery of N-[4-(1H-Pyrazolo[3,4-b]pyrazin-6-yl)-phenyl]-sulfonamides as Highly Active and Selective SGK1 Inhibitors.N-[4-(1H-吡唑并[3,4-b]吡嗪-6-基)苯基]磺酰胺作为高活性和选择性SGK1抑制剂的发现。
ACS Med Chem Lett. 2014 Oct 23;6(1):73-8. doi: 10.1021/ml5003376. eCollection 2015 Jan 8.