A modular approach for organizing dimeric coiled coils on peptoid oligomer scaffolds,Organic & Biomolecular Chemistry

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A modular approach for organizing dimeric coiled coils on peptoid oligomer scaffolds
Organic & Biomolecular Chemistry ( IF 2.9 ) Pub Date : 2020/03/09 , DOI: 10.1039/d0ob00453g
Linhai Jiang _{1,

2,

3,

4} , Kent Kirshenbaum _{1,

2,

3,

4}

Affiliation

We report a general approach to promote the folding of synthetic oligopeptides capable of forming homodimeric coiled coil assemblies. By pre-organizing the peptides on macrocyclic oligomer scaffolds, the stability of the coiled coils is enhanced with an observed increase in the melting temperature of 30 °C to 40 °C. Molecular dynamics simulations substantiate the hypothesis that the enhanced stability is established by constraining motion at the peptide termini and by pre-organizing intramolecular helix–helix contacts. We demonstrate the modularity of this approach by using a family of peptoid scaffolds to promote the folding of a dimeric coiled coil. Importantly, this strategy for templating coiled coils allows preservation of native amino acid sequences. Comparing a macrocyclic peptoid scaffold to its linear counterparts indicates that both types of assemblies are effective for organizing stable coiled coils. These results will guide future designs of coiled coil peptides for biomedical applications and as building blocks for more complex supramolecular assemblies.

中文翻译：

在类肽低聚物支架上组织二聚体卷曲螺旋的模块化方法

我们报告了一种通用的方法，以促进能够形成同二聚体卷曲线圈组件的合成寡肽折叠。通过在大环低聚物支架上预组织肽，观察到的熔化温度从30°C到40°C的升高，增强了卷曲螺旋的稳定性。分子动力学模拟证实了这样的假说，即通过限制肽末端的运动并预先组织分子内螺旋-螺旋接触来建立增强的稳定性。我们通过使用类肽支架家族来促进二聚体卷曲螺旋的折叠来证明这种方法的模块化。重要的是，这种用于盘绕线圈模板的策略允许保留天然氨基酸序列。将大环类肽支架与其线性对应物进行比较表明，两种类型的组件均可有效地组织稳定的卷曲螺旋。这些结果将指导未来用于生物医学应用的卷曲螺旋肽的设计，并作为更复杂的超分子组装的基础。

更新日期：2020-03-26

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