Computational Design of Single-Peptide Nanocages with Nanoparticle Templating
| Author(s) | Villegas, José A. | |
| Author(s) | Sinha, Nairiti J. | |
| Author(s) | Teramoto, Naozumi | |
| Author(s) | Von Bargen, Christopher D. | |
| Author(s) | Pochan, Darrin J. | |
| Author(s) | Saven, Jeffery G. | |
| Date Accessioned | 2022-03-30T13:39:31Z | |
| Date Available | 2022-03-30T13:39:31Z | |
| Publication Date | 2022-02-12 | |
| Description | This article was originally published in Molecules. The version of record is available at: https://doi.org/10.3390/molecules27041237 | en_US |
| Abstract | Protein complexes perform a diversity of functions in natural biological systems. While computational protein design has enabled the development of symmetric protein complexes with spherical shapes and hollow interiors, the individual subunits often comprise large proteins. Peptides have also been applied to self-assembly, and it is of interest to explore such short sequences as building blocks of large, designed complexes. Coiled-coil peptides are promising subunits as they have a symmetric structure that can undergo further assembly. Here, an α-helical 29-residue peptide that forms a tetrameric coiled coil was computationally designed to assemble into a spherical cage that is approximately 9 nm in diameter and presents an interior cavity. The assembly comprises 48 copies of the designed peptide sequence. The design strategy allowed breaking the side chain conformational symmetry within the peptide dimer that formed the building block (asymmetric unit) of the cage. Dynamic light scattering (DLS) and transmission electron microscopy (TEM) techniques showed that one of the seven designed peptide candidates assembled into individual nanocages of the size and shape. The stability of assembled nanocages was found to be sensitive to the assembly pathway and final solution conditions (pH and ionic strength). The nanocages templated the growth of size-specific Au nanoparticles. The computational design serves to illustrate the possibility of designing target assemblies with pre-determined specific dimensions using short, modular coiled-coil forming peptide sequences. | en_US |
| Sponsor | Support for computational design was provided by the Department of Energy, Office of Basic Energy Sciences, Biomolecular Materials Program under grant No. DE-SC0019355 and DE-SC0019282. J.G.S. acknowledges initial support from NSF 1709518. This work used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number ACI-1548562; XSEDE resources were utilized through the allocation of TG-CHE110041. Partial support was also provided by the cooperative agreement #370NANB17H302 from NIST. The statements, findings, conclusions and recommendations are those of the authors and do not necessarily reflect the view of NIST or the U.S. Department of Commerce. J.A.V. was supported in part by an NIH Chemical–Biology Interface Training Grant. We acknowledge support from NSF DMREF (Designing Materials to Revolutionize and Engineer our Future) program under awards DMR-1234161 and DMR-1235084. | en_US |
| Citation | Villegas, José A., Nairiti J. Sinha, Naozumi Teramoto, Christopher D. Von Bargen, Darrin J. Pochan, and Jeffery G. Saven. 2022. "Computational Design of Single-Peptide Nanocages with Nanoparticle Templating" Molecules 27, no. 4: 1237. https://doi.org/10.3390/molecules27041237 | en_US |
| ISSN | 1420-3049 | |
| URL | https://udspace.udel.edu/handle/19716/30726 | |
| Language | en_US | en_US |
| Publisher | Molecules | en_US |
| Keywords | peptides | en_US |
| Keywords | self-assembly | en_US |
| Keywords | molecular cages | en_US |
| Keywords | computational design | en_US |
| Keywords | biomaterials | en_US |
| Title | Computational Design of Single-Peptide Nanocages with Nanoparticle Templating | en_US |
| Type | Article | en_US |
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