Design of an abiotic unimolecular three-helix bundle

IF 7.6 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Shuhe Wang, Johannes Sigl, Lars Allmendinger, Victor Maurizot, Ivan Huc
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引用次数: 0

Abstract

Starting from the solid state structure of C3-symmetrical homochiral parallel trimolecular bundle of three aromatic helices held together by intermolecular hydrogen bonds, we have used simple rational principles and molecular modelling to design a similar heterochiral structure where one helix had an opposite orientation and handedness. A rigid and a flexible linker to connect these helices and transform the bundle into a unimolecular object were designed and synthesized. Model sequences with two helices and one linker were then prepared. Their conformations were investigated in solution by nuclear magnetic resonance and circular dichroism, in the solid state by X-ray crystallography, and by molecular dynamics simulations, overall supporting the initial design. A final 6.9 kDa unimolecular three-helix bundle was then prepared using a fragment condensation approach. Solution studies support the formation of the targetted tertiary fold in the case of the rigid linker, thereby validating the overall approach.

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来源期刊
Chemical Science
Chemical Science CHEMISTRY, MULTIDISCIPLINARY-
CiteScore
14.40
自引率
4.80%
发文量
1352
审稿时长
2.1 months
期刊介绍: Chemical Science is a journal that encompasses various disciplines within the chemical sciences. Its scope includes publishing ground-breaking research with significant implications for its respective field, as well as appealing to a wider audience in related areas. To be considered for publication, articles must showcase innovative and original advances in their field of study and be presented in a manner that is understandable to scientists from diverse backgrounds. However, the journal generally does not publish highly specialized research.
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