Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease

Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease Descriptor: 8-cyclopentyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-one, Heat shock protein HSP 90-alpha Authors: Zuccola, H.J, Ernst, J.T. Deposit date: 2013-12-13 Release date: 2014-04-09 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Identification of Novel HSP90 alpha / beta Isoform Selective Inhibitors Using Structure-Based Drug Design. Demonstration of Potential Utility in Treating CNS Disorders such as Huntington's Disease. J.Med.Chem., 57, 2014

基于结构药物设计法鉴定新型HSP90/亚型选择性抑制剂，并验证其在治疗亨廷顿舞蹈症等中枢神经系统（Central Nervous System，简称CNS）疾病中的潜在应用价值。数据集标识信息：化合物为8-环戊基-6-(3,6,6-三甲基-4-氧代-4,5,6,7-四氢-1H-吲哚-1-基)-3,4-二氢异喹啉-1(2H)-酮（8-cyclopentyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-one），靶蛋白为热休克蛋白HSP 90-α（Heat shock protein HSP 90-alpha）。作者：Zuccola, H.J.、Ernst, J.T.。提交日期：2013-12-13。发布日期：2014-04-09。末次修改日期：2024-02-28。研究方法：X射线衍射（X-RAY DIFFRACTION），分辨率1.93埃（Å）。引用文献：《基于结构药物设计法鉴定新型HSP90 α/β亚型选择性抑制剂，验证其在治疗亨廷顿舞蹈症等中枢神经系统疾病中的潜在应用价值》，J.Med.Chem., 57, 2014