1 Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, Purdue University, West Lafayette, IN, USA.
2 Bindley Bioscience Center, Purdue Discovery Park, Purdue University, West Lafayette, IN, USA.
SLAS Discov. 2017 Jul;22(6):706-719. doi: 10.1177/2472555216687525. Epub 2017 Jan 31.
Compounds that modulate the heat shock protein (HSP) network have potential in a broad range of research applications and diseases. A yeast-based liquid culture assay that measured time-dependent turbidity enabled the high-throughput screening of different Saccharomyces cerevisae strains to identify HSP modulators with unique molecular mechanisms. A focused set of four strains, with differing sensitivities to Hsp90 inhibitors, was used to screen a compound library of 3680 compounds. Computed turbidity curve functions were used to classify strain responses and sensitivity to chemical effects across the compound library. Filtering based on single-strain selectivity identified nine compounds as potential heat shock modulators, including the known Hsp90 inhibitor macbecin. Haploid yeast deletion strains (360), mined from previous Hsp90 inhibitor yeast screens and heat shock protein interaction data, were screened for differential sensitivities to known N-terminal ATP site-directed Hsp90 inhibitors to reveal functional distinctions. Strains demonstrating differential sensitivity (13) to Hsp90 inhibitors were used to prioritize primary screen hit compounds, with NSC145366 emerging as the lead hit. Our follow-up biochemical and functional studies show that NSC145366 directly interacts and inhibits the C-terminus of Hsp90, validating the platform as a powerful approach for early-stage identification of bioactive modulators of heat shock-dependent pathways.
调节热休克蛋白 (HSP) 网络的化合物在广泛的研究应用和疾病中具有潜力。一种基于酵母的液体培养测定法,通过测量时间依赖性浊度,可以高通量筛选不同的酿酒酵母菌株,以鉴定具有独特分子机制的 HSP 调节剂。使用一组四个具有不同 Hsp90 抑制剂敏感性的特定菌株,筛选了 3680 种化合物的化合物文库。计算出的浊度曲线函数用于对文库中的化合物进行分类,以确定菌株对化学效应的反应和敏感性。基于单菌株选择性的过滤方法鉴定出了 9 种可能的热休克调节剂化合物,包括已知的 Hsp90 抑制剂 macbecin。从先前的 Hsp90 抑制剂酵母筛选和热休克蛋白相互作用数据中挖掘出的单倍体酵母缺失菌株(360),用于筛选已知 N 端 ATP 位点定向 Hsp90 抑制剂的差异敏感性,以揭示功能差异。对 Hsp90 抑制剂表现出差异敏感性的菌株(13 个)被用于优先筛选初级筛选命中化合物,其中 NSC145366 作为主要命中化合物脱颖而出。我们随后的生化和功能研究表明,NSC145366 直接相互作用并抑制 Hsp90 的 C 端,验证了该平台是早期鉴定热休克依赖途径的生物活性调节剂的有力方法。