Some topics in the kinetics of protein aggregation

TL;DR

This paper presents preliminary kinetic studies of protein aggregation across three models, including insulin microcrystals, sickle hemoglobin fibers, and protein crystallization clusters, combining simulations and theoretical approaches.

Contribution

It introduces new models and simulation results for protein aggregation processes, linking experimental observations with theoretical frameworks.

Findings

Qualitative agreement with experimental insulin microcrystal formation

Theoretical insights into sickle hemoglobin fiber bundle formation

Preliminary results on protein crystallization cluster kinetics

Abstract

Preliminary results are presented for the kinetics of phase separation in three distinct models of protein aggregation. The first is a model of the formation of spherical microcrystals of insulin via an initial formation of fractal clusters of insulin. The results of our Brownian dynamics study of this model are in qualitative agreement with a recent experimental study (Biophys. Jour. 89 (2005) 3424-3433) of microcrystal formation from aqueous mixtures of insulin. A second work involves a theory for the formation of metastable bundles of sickle hemoglobin from fibers, based on a recent generic theory of bundle formation (Phy. Rev. Lett. 99 (2007) 098101). We also discuss a model for the microscopic formation of these fibers. Finally, we discuss preliminary results for the kinetics of cluster formation for a six patch model of protein crystallization.