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流感病毒聚合酶PA-PB1亚基相互作用的优化肽基抑制剂的热力学和结构表征

Thermodynamic and structural characterization of an optimized peptide-based inhibitor of the influenza polymerase PA-PB1 subunit interaction.

作者信息

Radilová Kateřina, Zima Václav, Kráľ Michal, Machara Aleš, Majer Pavel, Hodek Jan, Weber Jan, Brynda Jiří, Strmeň Timotej, Konvalinka Jan, Kožíšek Milan

机构信息

Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Flemingovo n. 2, 16610, Prague 6, Czech Republic; First Faculty of Medicine, Charles University, Kateřinská 1660/32, 12108, Prague, 2, Czech Republic.

Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Flemingovo n. 2, 16610, Prague 6, Czech Republic; Department of Organic Chemistry, Faculty of Science, Charles University, Hlavova 8, 12800, Prague, 2, Czech Republic.

出版信息

Antiviral Res. 2022 Dec;208:105449. doi: 10.1016/j.antiviral.2022.105449. Epub 2022 Oct 17.

Abstract

Influenza virus causes severe respiratory infection in humans. Current antivirotics target three key proteins in the viral life cycle: neuraminidase, the M2 channel and the endonuclease domain of RNA-dependent-RNA polymerase. Due to the development of novel pandemic strains, additional antiviral drugs targetting different viral proteins are still needed. The protein-protein interaction between polymerase subunits PA and PB1 is one such possible target. We recently identified a modified decapeptide derived from the N-terminus of the PB1 subunit with high affinity for the C-terminal part of the PA subunit. Here, we optimized its amino acid hotspots to maintain the inhibitory potency and greatly increase peptide solubility. This allowed thermodynamic characterization of peptide binding to PA. Solving the X-ray structure of the peptide-PA complex provided structural insights into the interaction. Additionally, we optimized intracellular delivery of the peptide using a bicyclic strategy that led to improved inhibition in cell-based assays.

摘要

流感病毒会引发人类严重的呼吸道感染。目前的抗病毒药物针对病毒生命周期中的三种关键蛋白:神经氨酸酶、M2通道以及RNA依赖性RNA聚合酶的内切酶结构域。由于新型大流行毒株的出现,仍然需要针对不同病毒蛋白的其他抗病毒药物。聚合酶亚基PA和PB1之间的蛋白质-蛋白质相互作用就是这样一个可能的靶点。我们最近鉴定出一种源自PB1亚基N端的修饰十肽,它对PA亚基的C端部分具有高亲和力。在此,我们优化了其氨基酸热点区域,以保持抑制效力并大幅提高肽的溶解度。这使得能够对肽与PA的结合进行热力学表征。解析肽-PA复合物的X射线结构为这种相互作用提供了结构上的见解。此外,我们使用双环策略优化了肽的细胞内递送,这导致在基于细胞的实验中抑制效果得到改善。

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