Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences, Prague, Czech Republic.
Methods Mol Biol. 2020;2151:145-158. doi: 10.1007/978-1-0716-0635-3_12.
Schistosomiasis caused by parasitic blood flukes of the genus Schistosoma is a global health problem with over 200 million people infected. Schistosoma mansoni cathepsin B1 (SmCB1) is a gut-associated protease critical for digestion of host blood proteins as a source of nutrients. SmCB1 is a validated drug target, and inhibitors of SmCB1 represent promising anti-schistosomals. A comprehensive structural and functional characterization of SmCB1 provides a starting point for the rational design of selective and potent SmCB1 inhibitors. Here, we report optimized protocols for (1) the production of recombinant SmCB1 in the Pichia pastoris expression system and its purification, (2) the measurement of SmCB1 activity and inhibition in a kinetic fluorescence assay, and (3) the preparation and crystallization of SmCB1 in complex with a model vinyl sulfone inhibitor, and the determination of its crystal structure.
由寄生性血吸虫子孢子虫属引起的血吸虫病是一个全球性的健康问题,有超过 2 亿人感染。曼氏血吸虫组织蛋白酶 B1(SmCB1)是一种与肠道相关的蛋白酶,对消化宿主血液蛋白以获取营养物质至关重要。SmCB1 是一个经过验证的药物靶点,SmCB1 的抑制剂是很有前途的抗血吸虫药物。对 SmCB1 进行全面的结构和功能表征,为合理设计选择性和强效的 SmCB1 抑制剂提供了起点。在这里,我们报告了优化的方案,用于(1)在毕赤酵母表达系统中生产重组 SmCB1 及其纯化,(2)在动力学荧光测定中测量 SmCB1 的活性和抑制作用,以及(3)SmCB1 与模型乙烯砜抑制剂复合物的制备和结晶,以及其晶体结构的测定。