| Title |
Insight into the histidine tautomerism effect on heterodimers of A脦虏40 |
|
Authors |
Hao Li, Abbas Salimi, Francis Kirby B Burnea, Hu Shi, Jin Yong Lee |
|
Publication date |
2021/11 |
|
Journal |
Bulletin of the Korean Chemical Society |
| Volume |
42 |
| Issue |
11 |
| Pages |
1549-1554 |
| Publisher |
Wiley芒聙聬VCH Verlag GmbH & Co. KGaA |
| Abstract |
The intrinsic origin of amyloid aggregation has been pursued as a new pathogenesis for Alzheimer's disease (AD). The aggregation mechanisms influenced by histidine tautomerism were previously investigated in A脦虏40 and A脦虏42 monomers. In the present study, we focus on the structural properties of A脦虏40 heterodimer under the influence of histidine. The results of molecular dynamics simulation detected different aggregation trends were detected in different heterodimers formed by the 脦碌脦碌脦碌 isomer and other isomers. In the (脦碌脦碌脦碌:脦麓脦麓脦麓) dimer, the highest 脦虏-sheet content was obtained in the 脦麓脦麓脦麓 chain, which is in agreement with our previous studies that 脦麓脦麓脦麓 monomer is the most easily formed 脦虏-sheet secondary structure in the monomer. Further analysis confirmed that (脦碌脦碌脦碌:脦麓脦麓脦麓) dimers more easily aggregate into fibrils in comparison with other heterodimers. This research will help in understanding the tautomeric effect on A脦虏 heterodimers, thereby helping to figure out the pathogenesis of AD. |
| DOI |
|
| URL |
|
Mindanao State
University - Iligan Institute of Technology