鼠兔睾丸特异乳酸脱氢酶抑制物的筛选

Screening of Testicular Specific Lactate Dehydrogenase Inhibitor from Pika

乳酸脱氢酶C4(lactate dehydrogenase C4,LDH-C4)被认为是研发节育药物的一个很好的靶蛋白。本研究进行了对鼠兔LDH-C4蛋白有抑制作用的小分子化合物的虚拟筛选和体外酶动力学筛选。筛选出了4个IC_(50)小于100μm的小分子化合物,其ZINC数据库编号分别为ZINC05328871(5μm)、ZINC01699287(36μm)、ZINC17995347(53μm)、ZINC05390471(87μm)。这4个化合物和已报道的LDH-C4抑制物的结构均不相同,属于新的结构支架,可以作为靶向鼠兔LDH-C4的节育药物先导化合物进行进一步的研究。

Lactate dehydrogenase C4（LDH-C4） is considered to be a good target protein for development of contraceptive drugs. In this study,small molecular compound that had inhibit effect to pika LDH-C4 protein was screened by virtual screening and in vitro enzyme assay. 4 small molecules with IC_（50） lower than 100 μm were screened out,and they were numbered as ZINC05328871（5 μm）,ZINC01699287（36 μm）,ZINC17995347（53 μm）and ZINC05390471（87 μm）. The structures of the 4 molecules were different from the reported LDH-C4 inhibitors,which were in new scaffolds and could be considered as leading compounds for development of pika LDH-C4 contraceptive drugs.