Patrick Donald A, Wenzler Tanja, Yang Sihyung, Weiser Patrick T, Wang Michael Zhuo, Brun Reto, Tidwell Richard R
University of North Carolina, Pathology & Laboratory Medicine, 805 Brinkhous-Bullitt Bldg, CB7525, Chapel Hill, NC 27599-7525, USA.
Swiss Tropical and Public Health Institute, Socinstrasse 57, CH-4002 Basel, Switzerland; University of Basel, 4003 Basel, Switzerland.
Bioorg Med Chem. 2016 Jun 1;24(11):2451-2465. doi: 10.1016/j.bmc.2016.04.006. Epub 2016 Apr 2.
2-(2-Benzamido)ethyl-4-phenylthiazole (1) was one of 1035 molecules (grouped into 115 distinct scaffolds) found to be inhibitory to Trypanosoma brucei, the pathogen causing human African trypanosomiasis, at concentrations below 3.6μM and non-toxic to mammalian (Huh7) cells in a phenotypic high-throughput screen of a 700,000 compound library performed by the Genomics Institute of the Novartis Research Foundation (GNF). Compound 1 and 72 analogues were synthesized in this lab by one of two general pathways. These plus 10 commercially available analogues were tested against T. brucei rhodesiense STIB900 and L6 rat myoblast cells (for cytotoxicity) in vitro. Forty-four derivatives were more potent than 1, including eight with IC50 values below 100nM. The most potent and most selective for the parasite was the urea analogue 2-(2-piperidin-1-ylamido)ethyl-4-(3-fluorophenyl)thiazole (70, IC50=9nM, SI>18,000). None of 33 compounds tested were able to cure mice infected with the parasite; however, seven compounds caused temporary reductions of parasitemia (⩾97%) but with subsequent relapses. The lack of in vivo efficacy was at least partially due to their poor metabolic stability, as demonstrated by the short half-lives of 15 analogues against mouse and human liver microsomes.
2-(2-苯甲酰胺基)乙基-4-苯基噻唑(1)是在诺华研究基金会基因组学研究所(GNF)对700,000个化合物文库进行的表型高通量筛选中发现的1035个分子(分为115个不同的支架)之一,这些分子在浓度低于3.6μM时对引起人类非洲锥虫病的病原体布氏锥虫具有抑制作用,并且对哺乳动物(Huh7)细胞无毒害作用.化合物1及其72个类似物通过两种一般途径之一在本实验室合成。这些化合物加上10种市售类似物在体外针对罗德西亚锥虫STIB900和L6大鼠成肌细胞(用于细胞毒性测试)进行了测试。44种衍生物比1更有效,其中8种的IC50值低于100nM。对该寄生虫最有效且最具选择性 的是脲类似物2-(2-哌啶-1-基酰胺基)乙基-4-(3-氟苯基)噻唑(70,IC50 =9nM,SI>18,000) 。测试的33种化合物中没有一种能够治愈感染该寄生虫的小鼠;然而,有7种化合物导致寄生虫血症暂时降低(⩾97%),但随后复发。体内疗效不佳至少部分是由于它们的代谢稳定性差,15种类似物对小鼠和人肝微粒体的半衰期较短就证明了这一点。