Classification of self-assembling protein nanoparticle architectures for applications in vaccine design

TY - JOUR

T1 - Classification of self-assembling protein nanoparticle architectures for applications in vaccine design

AU - Indelicato, Giuliana

AU - Burkhard, P.

AU - Twarock, Reidun

N1 - © 2017 The Authors.

PY - 2017/4/26

Y1 - 2017/4/26

N2 - We introduce here a mathematical procedure for the structural classification of a specific class of self-assembling protein nanoparticles (SAPNs) that are used as a platform for repetitive antigen display systems. These SAPNs have distinctive geometries as a consequence of the fact that their peptide building blocks are formed from two linked coiled coils that are designed to assemble into trimeric and pentameric clusters. This allows a mathematical description of particle architectures in terms of bipartite (3,5)-regular graphs. Exploiting the relation with fullerene graphs, we provide a complete atlas of SAPN morphologies. The classification enables a detailed understanding of the spectrum of possible particle geometries that can arise in the self-assembly process. Moreover, it provides a toolkit for a systematic exploitation of SAPNs in bioengineering in the context of vaccine design, predicting the density of B-cell epitopes on the SAPN surface, which is critical for a strong humoral immune response.

AB - We introduce here a mathematical procedure for the structural classification of a specific class of self-assembling protein nanoparticles (SAPNs) that are used as a platform for repetitive antigen display systems. These SAPNs have distinctive geometries as a consequence of the fact that their peptide building blocks are formed from two linked coiled coils that are designed to assemble into trimeric and pentameric clusters. This allows a mathematical description of particle architectures in terms of bipartite (3,5)-regular graphs. Exploiting the relation with fullerene graphs, we provide a complete atlas of SAPN morphologies. The classification enables a detailed understanding of the spectrum of possible particle geometries that can arise in the self-assembly process. Moreover, it provides a toolkit for a systematic exploitation of SAPNs in bioengineering in the context of vaccine design, predicting the density of B-cell epitopes on the SAPN surface, which is critical for a strong humoral immune response.

KW - graph theory

KW - symmetry

KW - nanoparticle

KW - fullerene

KW - antigen display

U2 - 10.1098/rsos.161092

DO - 10.1098/rsos.161092

M3 - Article

SN - 2054-5703

VL - 4

JO - Royal Society Open Science

JF - Royal Society Open Science

M1 - 161092

ER -