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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.

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。

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