Year: 2024
Type: article
Abstract: -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.
Source: Chemical Science
DOI: 10.1039/d4sc07336c
Language: English
Subfield: Organic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: diamond
Funder: China Scholarship Council
OpenAlex ID: W4405004234