Exploring the sequence space for (tri-)peptide self-assembly to design and discover new hydrogels

Pim W. J. M. Frederix, Gary G. Scott, Yousef M. Abul-Haija, Daniela Kalafatovic, Charalampos G. Pappas, Nadeem Javid, Neil T. Hunt, Rein V. Ulijn, Tell Tuttle

Research output: Contribution to journalArticle

232 Citations (Scopus)

Abstract

Peptides that self-assemble into nanostructures are of tremendous interest for biological, medical, photonic and nanotechnological applications. The enormous sequence space that is available from 20 amino acids probably harbours many interesting candidates, but it is currently not possible to predict supramolecular behaviour from sequence alone. Here, we demonstrate computational tools to screen for the aqueous self-assembly propensity in all of the 8,000 possible tripeptides and evaluate these by comparison with known examples. We applied filters to select for candidates that simultaneously optimize the apparently contradicting requirements of aggregation propensity and hydrophilicity, which resulted in a set of design rules for self-assembling sequences. A number of peptides were subsequently synthesized and characterized, including the first reported tripeptides that are able to form a hydrogel at neutral pH. These tools, which enable the peptide sequence space to be searched for supramolecular properties, enable minimalistic peptide nanotechnology to deliver on its promise.

LanguageEnglish
Pages30-37
Number of pages8
JournalNature Chemistry
Volume7
Issue number1
Early online date8 Dec 2014
DOIs
Publication statusPublished - Jan 2015

Fingerprint

Hydrogels
Self assembly
Peptides
Hydrogel
Hydrophilicity
Ports and harbors
Nanotechnology
Photonics
Amino acids
Nanostructures
Agglomeration
Amino Acids

Keywords

  • peptides
  • nanostructures
  • nanotechnological application
  • supramolecular behaviour

Cite this

Frederix, P. W. J. M., Scott, G. G., Abul-Haija, Y. M., Kalafatovic, D., Pappas, C. G., Javid, N., ... Tuttle, T. (2015). Exploring the sequence space for (tri-)peptide self-assembly to design and discover new hydrogels. Nature Chemistry, 7(1), 30-37. https://doi.org/10.1038/nchem.2122
Frederix, Pim W. J. M. ; Scott, Gary G. ; Abul-Haija, Yousef M. ; Kalafatovic, Daniela ; Pappas, Charalampos G. ; Javid, Nadeem ; Hunt, Neil T. ; Ulijn, Rein V. ; Tuttle, Tell. / Exploring the sequence space for (tri-)peptide self-assembly to design and discover new hydrogels. In: Nature Chemistry. 2015 ; Vol. 7, No. 1. pp. 30-37.
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Frederix, PWJM, Scott, GG, Abul-Haija, YM, Kalafatovic, D, Pappas, CG, Javid, N, Hunt, NT, Ulijn, RV & Tuttle, T 2015, 'Exploring the sequence space for (tri-)peptide self-assembly to design and discover new hydrogels' Nature Chemistry, vol. 7, no. 1, pp. 30-37. https://doi.org/10.1038/nchem.2122

Exploring the sequence space for (tri-)peptide self-assembly to design and discover new hydrogels. / Frederix, Pim W. J. M.; Scott, Gary G.; Abul-Haija, Yousef M.; Kalafatovic, Daniela; Pappas, Charalampos G.; Javid, Nadeem; Hunt, Neil T.; Ulijn, Rein V.; Tuttle, Tell.

In: Nature Chemistry, Vol. 7, No. 1, 01.2015, p. 30-37.

Research output: Contribution to journalArticle

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Frederix PWJM, Scott GG, Abul-Haija YM, Kalafatovic D, Pappas CG, Javid N et al. Exploring the sequence space for (tri-)peptide self-assembly to design and discover new hydrogels. Nature Chemistry. 2015 Jan;7(1):30-37. https://doi.org/10.1038/nchem.2122