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从酪氨酸激酶抑制剂药物筛选中发现用于治疗人类非洲锥虫病的新型化学骨架。

New chemical scaffolds for human african trypanosomiasis lead discovery from a screen of tyrosine kinase inhibitor drugs.

作者信息

Behera Ranjan, Thomas Sarah M, Mensa-Wilmot Kojo

机构信息

Department of Cellular Biology, University of Georgia, Athens, Georgia, USA.

出版信息

Antimicrob Agents Chemother. 2014;58(4):2202-10. doi: 10.1128/AAC.01691-13. Epub 2014 Jan 27.

Abstract

Human African trypanosomiasis (HAT) is caused by the protozoan Trypanosoma brucei. New drugs are needed to treat HAT because of undesirable side effects and difficulties in the administration of the antiquated drugs that are currently used. In human proliferative diseases, protein tyrosine kinase (PTK) inhibitors (PTKIs) have been developed into drugs (e.g., lapatinib and erlotinib) by optimization of a 4-anilinoquinazoline scaffold. Two sets of facts raise a possibility that drugs targeted against human PTKs could be "hits" for antitrypanosomal lead discoveries. First, trypanosome protein kinases bind some drugs, namely, lapatinib, CI-1033, and AEE788. Second, the pan-PTK inhibitor tyrphostin A47 blocks the endocytosis of transferrin and inhibits trypanosome replication. Following up on these concepts, we performed a focused screen of various PTKI drugs as possible antitrypanosomal hits. Lapatinib, CI-1033, erlotinib, axitinib, sunitinib, PKI-166, and AEE788 inhibited the replication of bloodstream T. brucei, with a 50% growth inhibitory concentration (GI50) between 1.3 μM and 2.5 μM. Imatinib had no effect (i.e., GI50>10 μM). To discover leads among the drugs, a mouse model of HAT was used in a proof-of-concept study. Orally administered lapatinib reduced parasitemia, extended the survival of all treated mice, and cured the trypanosomal infection in 25% of the mice. CI-1033 and AEE788 reduced parasitemia and extended the survival of the infected mice. On the strength of these data and noting their oral bioavailabilities, we propose that the 4-anilinoquinazoline and pyrrolopyrimidine scaffolds of lapatinib, CI-1033, and AEE788 are worth optimizing against T. brucei in medicinal chemistry campaigns (i.e., scaffold repurposing) to discover new drugs against HAT.

摘要

人类非洲锥虫病(HAT)由原生动物布氏锥虫引起。由于目前使用的旧药存在不良副作用和给药困难,因此需要新药来治疗HAT。在人类增殖性疾病中,蛋白酪氨酸激酶(PTK)抑制剂(PTKIs)已通过优化4-苯胺基喹唑啉支架开发成药物(例如拉帕替尼和厄洛替尼)。两组事实表明,针对人类PTK的药物有可能成为抗锥虫先导化合物发现的“命中物”。首先,锥虫蛋白激酶能结合某些药物,即拉帕替尼、CI-1033和AEE788。其次,泛PTK抑制剂 tyrphostin A47可阻断转铁蛋白的内吞作用并抑制锥虫复制。基于这些概念,我们对各种PTKI药物进行了针对性筛选,以寻找可能的抗锥虫活性物质。拉帕替尼、CI-1033、厄洛替尼、阿昔替尼、舒尼替尼、PKI-166和AEE788抑制了布氏锥虫血流形式的复制,其50%生长抑制浓度(GI50)在1.3 μM至2.5 μM之间。伊马替尼无作用(即GI50>10 μM)。为了在这些药物中发现先导化合物,在一项概念验证研究中使用了HAT小鼠模型。口服拉帕替尼可降低寄生虫血症,延长所有治疗小鼠的生存期,并使25%的小鼠治愈锥虫感染。CI-1033和AEE788可降低寄生虫血症并延长感染小鼠的生存期。基于这些数据并注意到它们的口服生物利用度,我们建议在药物化学研究中(即支架重新利用)针对布氏锥虫优化拉帕替尼、CI-1033和AEE788的4-苯胺基喹唑啉和吡咯并嘧啶支架,以发现抗HAT的新药。

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