Barker John J, Barker Oliver, Boggio Roberto, Chauhan Viddhata, Cheng Robert K Y, Corden Vincent, Courtney Stephen M, Edwards Neil, Falque Virginie M, Fusar Fulvia, Gardiner Mihaly, Hamelin Estelle M N, Hesterkamp Thomas, Ichihara Osamu, Jones Richard S, Mather Owen, Mercurio Ciro, Minucci Saverio, Montalbetti Christian A G N, Müller Annett, Patel Deepti, Phillips Banu G, Varasi Mario, Whittaker Mark, Winkler Dirk, Yarnold Christopher J
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ChemMedChem. 2009 Jun;4(6):963-6. doi: 10.1002/cmdc.200900011.
Heat shock protein 90 (Hsp90) plays a key role in stress response and protection of the cell against the effects of mutation. Herein we report the identification of an Hsp90 inhibitor identified by fragment screening using a high-concentration biochemical assay, as well as its optimisation by in silico searching coupled with a structure-based drug design (SBDD) approach.
热休克蛋白90（Hsp90）在应激反应以及保护细胞免受突变影响方面发挥着关键作用。在此，我们报告了一种通过高浓度生化分析的片段筛选鉴定出的Hsp90抑制剂，以及通过计算机搜索结合基于结构的药物设计（SBDD）方法对其进行的优化。
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