Kellish Patrick C, Kumar Sunil, Mack Todd S, Spano Meredith Newby, Hennig Mirko, Arya Dev P
Laboratory of Medicinal Chemistry, Department of Chemistry, Clemson University, Clemson, South Carolina 29634, United States.
Department of Biochemistry and Molecular Biology, Medical University of South Carolina, 70 President St., Charleston, SC 29425.
Medchemcomm. 2014 Aug 1;5(8):1235-1246. doi: 10.1039/C4MD00165F. Epub 2014 May 30.
Neomycin dimers synthesized using "click chemistry" with varying functionality and length in the linker region have been shown to be effective in targeting the HIV-1 TAR RNA region of the HIV virus. TAR (Transactivation Response) RNA region, a 59 base pair stem loop structure located at the 5'-end of all nascent viral transcripts interacts with its target, a key regulatory protein, Tat, and necessitates the replication of HIV-1 virus. Ethidium bromide displacement and FRET competition assays have revealed nanomolar binding affinity between neomycin dimers and wildtype TAR RNA while in case of neomycin, only a weak binding was detected. Here, NMR and FID-based comparisons reveal an extended binding interface for neomycin dimers involving the upper stem of the TAR RNA thereby offering an explanation for increased affinities. To further explore the potential of these modified aminosugars we have extended binding studies to include four TAR RNA mutants that display conformational differences with minimal sequence variation. The differences in binding between neomycin and neomycin dimers is characterized with TAR RNA mutants that include mutations to the bulge region, hairpin region, and both the bulge and hairpin regions. Our results demonstrate the effect of these mutations on neomycin binding and our results show that linker functionalities between dimeric units of neomycin can distinguish between the conformational differences of mutant TAR RNA structures.
利用“点击化学”合成的、连接区具有不同功能和长度的新霉素二聚体已被证明能有效靶向HIV病毒的HIV-1 TAR RNA区域。TAR(反式激活应答)RNA区域是位于所有新生病毒转录本5'端的一个59个碱基对的茎环结构,它与其靶标——一种关键调节蛋白Tat相互作用,是HIV-1病毒复制所必需的。溴化乙锭置换和荧光共振能量转移竞争分析表明新霉素二聚体与野生型TAR RNA之间具有纳摩尔级的结合亲和力,而对于新霉素,仅检测到弱结合。在此,基于核磁共振和自由感应衰减的比较揭示了新霉素二聚体涉及TAR RNA上部茎的扩展结合界面,从而为亲和力增加提供了解释。为了进一步探索这些修饰氨基糖的潜力,我们扩展了结合研究,纳入了四个TAR RNA突变体,它们在序列变化最小的情况下表现出构象差异。新霉素和新霉素二聚体之间结合的差异通过TAR RNA突变体来表征,这些突变体包括对凸起区域、发夹区域以及凸起和发夹区域的突变。我们的结果证明了这些突变对新霉素结合的影响,并且我们的结果表明新霉素二聚体单元之间的连接功能可以区分突变TAR RNA结构的构象差异。