Computational design of a self-assembling β-peptide oligomer

Ivan V. Korendovych; Yong Ho Kim; Andrew H. Ryan; James D. Lear; William F. Degrado; Scott J. Shandler

doi:10.1021/ol102092r

Computational design of a self-assembling β-peptide oligomer

Ivan V. Korendovych, Yong Ho Kim, Andrew H. Ryan, James D. Lear, William F. Degrado, Scott J. Shandler

Research output: Contribution to journal › Article › peer-review

33 Scopus citations

Abstract

The first computationally designed self-assembling oligomer consisting of exclusively β-amino acids (βAAs) is presented. The packing of a β-3₁₄ helix into coiled-coils of varying stoichiometries as a function of amino acid sequence is examined. β-Peptides with hVal repeating every third residue in the sequence appeared to have a strong propensity to pack into hexameric bundles. The designed sequence was synthesized and characterized with CD spectroscopy, NMR, and analytical ultracentrifugation, suggesting that the peptide adopts a well-folded hexameric structure.

Original language	English
Pages (from-to)	5142-5145
Number of pages	4
Journal	Organic Letters
Volume	12
Issue number	22
DOIs	https://doi.org/10.1021/ol102092r
State	Published - 19 Nov 2010
Externally published	Yes

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10.1021/ol102092r

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title = "Computational design of a self-assembling β-peptide oligomer",

abstract = "The first computationally designed self-assembling oligomer consisting of exclusively β-amino acids (βAAs) is presented. The packing of a β-314 helix into coiled-coils of varying stoichiometries as a function of amino acid sequence is examined. β-Peptides with hVal repeating every third residue in the sequence appeared to have a strong propensity to pack into hexameric bundles. The designed sequence was synthesized and characterized with CD spectroscopy, NMR, and analytical ultracentrifugation, suggesting that the peptide adopts a well-folded hexameric structure.",

author = "Korendovych, \{Ivan V.\} and Kim, \{Yong Ho\} and Ryan, \{Andrew H.\} and Lear, \{James D.\} and Degrado, \{William F.\} and Shandler, \{Scott J.\}",

year = "2010",

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AU - Korendovych, Ivan V.

AU - Kim, Yong Ho

AU - Ryan, Andrew H.

AU - Lear, James D.

AU - Degrado, William F.

AU - Shandler, Scott J.

PY - 2010/11/19

Y1 - 2010/11/19

N2 - The first computationally designed self-assembling oligomer consisting of exclusively β-amino acids (βAAs) is presented. The packing of a β-314 helix into coiled-coils of varying stoichiometries as a function of amino acid sequence is examined. β-Peptides with hVal repeating every third residue in the sequence appeared to have a strong propensity to pack into hexameric bundles. The designed sequence was synthesized and characterized with CD spectroscopy, NMR, and analytical ultracentrifugation, suggesting that the peptide adopts a well-folded hexameric structure.

AB - The first computationally designed self-assembling oligomer consisting of exclusively β-amino acids (βAAs) is presented. The packing of a β-314 helix into coiled-coils of varying stoichiometries as a function of amino acid sequence is examined. β-Peptides with hVal repeating every third residue in the sequence appeared to have a strong propensity to pack into hexameric bundles. The designed sequence was synthesized and characterized with CD spectroscopy, NMR, and analytical ultracentrifugation, suggesting that the peptide adopts a well-folded hexameric structure.

UR - https://www.scopus.com/pages/publications/78449287254

U2 - 10.1021/ol102092r

DO - 10.1021/ol102092r

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JO - Organic Letters

JF - Organic Letters

IS - 22

ER -

Computational design of a self-assembling β-peptide oligomer

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