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设计、合成及生物评价作为潜在抗流感药物的衣康酸衍生物。

Design, Synthesis, and Biological Evaluation of Itaconic Acid Derivatives as Potential Anti-Influenza Agents.

机构信息

Molecular Infectious Disease Research Center, Chang Gung Memorial Hospital, College of Medicine , Chang Gung University , Linkou 333 , Taiwan.

Research Center for Chinese Herbal Medicine , Chang Gung University of Science and Technology , Taoyuan 33303 , Taiwan.

出版信息

J Med Chem. 2019 Mar 14;62(5):2390-2403. doi: 10.1021/acs.jmedchem.8b01683. Epub 2019 Feb 22.

Abstract

Influenza A viruses (IAVs) have caused worldwide epidemics and pandemics by reassortment and generation of drug-resistant mutants, which render antivirals and current vaccinations no longer usable. In this study, an itaconic acid derivative 1 was identified from a chemical library of 20 000 compounds, by performing a cell-based screening assay, as a lead agent exhibiting anti-influenza A activity. Accordingly, a series of itaconic acid derivatives were designed and synthesized by adopting a rational design strategy to obtain more potent anti-influenza agents. The results of an in vitro pharmacological study showed that compounds 4 and 8 exhibited the most potent anti-IAV effect with half-maximal effective concentration values of 0.14 and 0.11 μM, respectively, in Madin-Darby canine kidney cells. The mechanism of action studies showed that lead agents 1 and 4 reduced virus replication by directly targeting IAV nucleoproteins and disrupting virus ribonucleoprotein export from the nucleus to the cytosol. On the basis of its high potential as an anti-IAV agent and its selectivity index >785, compound 4 was found to be a promising candidate for further development against IAVs.

摘要

甲型流感病毒(IAV)通过重配和产生耐药突变体引起了全球的流行和大流行,这使得抗病毒药物和当前的疫苗不再有效。在这项研究中,通过进行基于细胞的筛选试验,从 20000 种化合物的化学文库中鉴定出一种衣康酸衍生物 1,它是一种具有抗甲型流感活性的先导化合物。因此,采用合理的设计策略设计并合成了一系列衣康酸衍生物,以获得更有效的抗流感药物。体外药理学研究结果表明,化合物 4 和 8 在 Madin-Darby 犬肾细胞中具有最强的抗 IAV 作用,半数有效浓度值分别为 0.14 和 0.11 μM。作用机制研究表明,先导化合物 1 和 4 通过直接靶向 IAV 核蛋白和破坏病毒核糖核蛋白从细胞核向细胞质的输出,从而降低病毒复制。基于其作为抗 IAV 药物的高潜力和选择性指数>785,发现化合物 4 是进一步开发抗 IAV 药物的有前途的候选药物。

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