Influence of Aromatic Residues on the Material Characteristics of A Amyloid Protofibrils at the Atomic Scale
- Authors
- Chang, Hyun Joon; Baek, Inchul; Lee, Myeongsang; Na, Sungsoo
- Issue Date
- 3-8월-2015
- Publisher
- WILEY-V C H VERLAG GMBH
- Keywords
- amyloid beta-peptides; mechanical properties; molecular dynamics; molecular modeling; stacking interactions
- Citation
- CHEMPHYSCHEM, v.16, no.11, pp.2403 - 2414
- Indexed
- SCIE
SCOPUS
- Journal Title
- CHEMPHYSCHEM
- Volume
- 16
- Number
- 11
- Start Page
- 2403
- End Page
- 2414
- URI
- https://scholar.korea.ac.kr/handle/2021.sw.korea/92780
- DOI
- 10.1002/cphc.201500244
- ISSN
- 1439-4235
- Abstract
- Amyloid fibrils, which cause a number of degenerative diseases, are insoluble under physiological conditions and are supported by native contacts. Recently, the effects of the aromatic residues on the A amyloid protofibril were investigated in a ThT fluorescence study. However, the relationship between the material characteristics of the A protofibril and its aromatic residues has not yet been investigated on the atomic scale. Here, we successfully constructed wild-type (WT) and mutated types of A protofibrils by using molecular dynamics simulations. Through principle component analysis, we established the structural stability and vibrational characteristics of F20L A protofibrils and compared them with WT and other mutated models such as F19L and F19LF20L. In addition, structural stability was assessed by calculating the elastic modulus, which showed that the F20L model has higher values than the other models studied. From our results, it is shown that aromatic residues influence the structural and material characteristics of A protofibrils.
- Files in This Item
- There are no files associated with this item.
- Appears in
Collections - College of Engineering > Department of Mechanical Engineering > 1. Journal Articles
Items in ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.