Impact of aza-substitutions on the preference of helix handedness for β-peptide oligomers: a DFT study

We studied the helix preference of the heterochiral pentamers of cis-2-aminocyclohexanecarboxylic acid (c-ACHC) and cis-2-aminocyclopentanecarboxylic acid (c-ACPC) with alternating backbone configurations by replacing C(β)-aza- or C(α)-aza-peptide residues using DFT methods in solution. The helix-ha...

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Detalles Bibliográficos
Autores principales: Park, Hae Sook, Kang, Young Kee
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9850699/
https://www.ncbi.nlm.nih.gov/pubmed/36756412
http://dx.doi.org/10.1039/d2ra07575j
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author Park, Hae Sook
Kang, Young Kee
author_facet Park, Hae Sook
Kang, Young Kee
author_sort Park, Hae Sook
collection PubMed
description We studied the helix preference of the heterochiral pentamers of cis-2-aminocyclohexanecarboxylic acid (c-ACHC) and cis-2-aminocyclopentanecarboxylic acid (c-ACPC) with alternating backbone configurations by replacing C(β)-aza- or C(α)-aza-peptide residues using DFT methods in solution. The helix-handedness preferences of two pentamers were strongly affected by the replacement positions (i.e., chiralities) but not depending on the solvent polarity.
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spelling pubmed-98506992023-02-07 Impact of aza-substitutions on the preference of helix handedness for β-peptide oligomers: a DFT study Park, Hae Sook Kang, Young Kee RSC Adv Chemistry We studied the helix preference of the heterochiral pentamers of cis-2-aminocyclohexanecarboxylic acid (c-ACHC) and cis-2-aminocyclopentanecarboxylic acid (c-ACPC) with alternating backbone configurations by replacing C(β)-aza- or C(α)-aza-peptide residues using DFT methods in solution. The helix-handedness preferences of two pentamers were strongly affected by the replacement positions (i.e., chiralities) but not depending on the solvent polarity. The Royal Society of Chemistry 2023-01-19 /pmc/articles/PMC9850699/ /pubmed/36756412 http://dx.doi.org/10.1039/d2ra07575j Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/
spellingShingle Chemistry
Park, Hae Sook
Kang, Young Kee
Impact of aza-substitutions on the preference of helix handedness for β-peptide oligomers: a DFT study
title Impact of aza-substitutions on the preference of helix handedness for β-peptide oligomers: a DFT study
title_full Impact of aza-substitutions on the preference of helix handedness for β-peptide oligomers: a DFT study
title_fullStr Impact of aza-substitutions on the preference of helix handedness for β-peptide oligomers: a DFT study
title_full_unstemmed Impact of aza-substitutions on the preference of helix handedness for β-peptide oligomers: a DFT study
title_short Impact of aza-substitutions on the preference of helix handedness for β-peptide oligomers: a DFT study
title_sort impact of aza-substitutions on the preference of helix handedness for β-peptide oligomers: a dft study
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9850699/
https://www.ncbi.nlm.nih.gov/pubmed/36756412
http://dx.doi.org/10.1039/d2ra07575j
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