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针对小核糖核酸病毒 3C 蛋白酶的通用抑制剂的开发。

Toward development of generic inhibitors against the 3C proteases of picornaviruses.

机构信息

Kusuma School of Biological Sciences, Indian Institute of Technology, Hauz Khas, India.

Department of Chemistry, Indian Institute of Technology, Hauz Khas, India.

出版信息

FEBS J. 2019 Feb;286(4):765-787. doi: 10.1111/febs.14707. Epub 2018 Dec 10.

Abstract

Development of novel antivirals, which requires knowledge of the viral life cycle in molecular detail, is a daunting task, involving extensive investments, and frequently resulting in failure. As there exist significant commonalities among virus families in the manner of host interaction, identifying and targeting common rather than specific features may lead to the development of broadly useful antivirals. Here, we have targeted the 3C protease of Hepatitis A Virus (HAV), a feco-orally transmitted virus of the family Picornaviridae, for identification of potential antivirals. The 3C protease is a viable drug target as it is required by HAV, as well as by other picornaviruses, for post-translational proteolysis of viral polyproteins and for inhibiting host innate immune pathways. Computational screening, followed by chemical synthesis and experimental validation resulted in identification of a few compounds which, at low micromolar concentrations, could inhibit HAV 3C activity. These compounds were further tested experimentally against the 3C protease of Human Rhinovirus, another member of the Picornaviridae family, with comparable results. Computational studies on 3C proteases from other members of the picornavirus family have indicated that the compounds identified could potentially be generic inhibitors for picornavirus 3C proteases.

摘要

开发新型抗病毒药物需要深入了解病毒的生命周期,这是一项艰巨的任务,需要大量的投资,并且经常以失败告终。由于病毒家族在与宿主相互作用的方式上存在显著的共性,因此识别和针对共同而非特定的特征可能会导致广谱有用的抗病毒药物的开发。在这里,我们针对甲型肝炎病毒 (HAV) 的 3C 蛋白酶进行了研究,甲型肝炎病毒是一种肠道传播的微小核糖核酸病毒科病毒。我们的目标是鉴定潜在的抗病毒药物。3C 蛋白酶是一个可行的药物靶点,因为它不仅是 HAV 所必需的,也是其他微小核糖核酸病毒所必需的,用于病毒多蛋白的翻译后水解以及抑制宿主先天免疫途径。通过计算筛选、化学合成和实验验证,确定了一些化合物,这些化合物在低微摩尔浓度下可以抑制 HAV 3C 活性。这些化合物进一步在实验中针对微小核糖核酸病毒科的另一个成员人类鼻病毒的 3C 蛋白酶进行了测试,结果相似。对微小核糖核酸病毒科其他成员的 3C 蛋白酶的计算研究表明,鉴定出的化合物可能是微小核糖核酸病毒 3C 蛋白酶的通用抑制剂。

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