Literature DB >> 23676073

Dual effect of crowders on fibrillation kinetics of polypeptide chains revealed by lattice models.

Nguyen Truong Co1, Chin-Kun Hu, Mai Suan Li.   

Abstract

We have developed the lattice model for describing polypeptide chains in the presence of crowders. The influence of crowding confinement on the fibrillation kinetics of polypeptide chains is studied using this model. We observed the non-trivial behavior of the fibril formation time τfib that it decreases with the concentration of crowders if crowder sizes are large enough, but the growth is observed for crowders of small sizes. This allows us to explain the recent experimental observation on the dual effect of crowding particles on fibril growth of proteins that for a fixed crowder concentration the fibrillation kinetics is fastest at intermediate values of total surface of crowders. It becomes slow at either small or large coverages of cosolutes. It is shown that due to competition between the energetics and entropic effects, the dependence of τfib on the size of confined space is described by a parabolic function.

Mesh:

Substances:

Year:  2013        PMID: 23676073     DOI: 10.1063/1.4804299

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  24 in total

1.  The protein folding network.

Authors:  Francesco Rao; Amedeo Caflisch
Journal:  J Mol Biol       Date:  2004-09-03       Impact factor: 5.469

2.  Hidden complexity of free energy surfaces for peptide (protein) folding.

Authors:  Sergei V Krivov; Martin Karplus
Journal:  Proc Natl Acad Sci U S A       Date:  2004-10-04       Impact factor: 11.205

3.  Evolution of the potential energy landscape with static pulling force for two model proteins.

Authors:  David J Wales; Teresa Head-Gordon
Journal:  J Phys Chem B       Date:  2012-04-27       Impact factor: 2.991

4.  Protein folding pathways from replica exchange simulations and a kinetic network model.

Authors:  Michael Andrec; Anthony K Felts; Emilio Gallicchio; Ronald M Levy
Journal:  Proc Natl Acad Sci U S A       Date:  2005-03-30       Impact factor: 11.205

Review 5.  Network and graph analyses of folding free energy surfaces.

Authors:  Amedeo Caflisch
Journal:  Curr Opin Struct Biol       Date:  2006-01-18       Impact factor: 6.809

6.  Global optimization and folding pathways of selected alpha-helical proteins.

Authors:  Joanne M Carr; David J Wales
Journal:  J Chem Phys       Date:  2005-12-15       Impact factor: 3.488

7.  Evaluation of configurational entropy methods from peptide folding-unfolding simulation.

Authors:  Da-Wei Li; Mina Khanlarzadeh; Jinbu Wang; Shuanghong Huo; Rafael Brüschweiler
Journal:  J Phys Chem B       Date:  2007-11-20       Impact factor: 2.991

8.  Early events in helix unfolding under external forces: a milestoning analysis.

Authors:  Steven M Kreuzer; Ron Elber; Tess J Moon
Journal:  J Phys Chem B       Date:  2012-05-29       Impact factor: 2.991

9.  Structural and pathway complexity of beta-strand reorganization within aggregates of human transthyretin(105-115) peptide.

Authors:  Da-Wei Li; Li Han; Shuanghong Huo
Journal:  J Phys Chem B       Date:  2007-04-14       Impact factor: 2.991

10.  Solution conformations and thermodynamics of structured peptides: molecular dynamics simulation with an implicit solvation model.

Authors:  M Schaefer; C Bartels; M Karplus
Journal:  J Mol Biol       Date:  1998-12-04       Impact factor: 5.469

View more
  7 in total

1.  Effects of hydrophobic macromolecular crowders on amyloid β (16-22) aggregation.

Authors:  David C Latshaw; Carol K Hall
Journal:  Biophys J       Date:  2015-07-07       Impact factor: 4.033

2.  Kinetics and mechanical stability of the fibril state control fibril formation time of polypeptide chains: A computational study.

Authors:  Maksim Kouza; Nguyen Truong Co; Mai Suan Li; Sebastian Kmiecik; Andrzej Kolinski; Andrzej Kloczkowski; Irina Alexandra Buhimschi
Journal:  J Chem Phys       Date:  2018-06-07       Impact factor: 3.488

3.  Computational Models for the Study of Protein Aggregation.

Authors:  Nguyen Truong Co; Mai Suan Li; Pawel Krupa
Journal:  Methods Mol Biol       Date:  2022

Review 4.  Molecular Dynamics Simulation Studies on the Aggregation of Amyloid-β Peptides and Their Disaggregation by Ultrasonic Wave and Infrared Laser Irradiation.

Authors:  Hisashi Okumura; Satoru G Itoh
Journal:  Molecules       Date:  2022-04-12       Impact factor: 4.927

5.  Effects of macromolecular crowding on amyloid beta (16-22) aggregation using coarse-grained simulations.

Authors:  David C Latshaw; Mookyung Cheon; Carol K Hall
Journal:  J Phys Chem B       Date:  2014-11-13       Impact factor: 2.991

6.  Physical mechanism for biopolymers to aggregate and maintain in non-equilibrium states.

Authors:  Wen-Jong Ma; Chin-Kun Hu
Journal:  Sci Rep       Date:  2017-06-08       Impact factor: 4.379

7.  Effect of Surface Roughness on Aggregation of Polypeptide Chains: A Monte Carlo Study.

Authors:  Nguyen Truong Co; Mai Suan Li
Journal:  Biomolecules       Date:  2021-04-18
  7 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.