| 학회 |
한국공업화학회 |
| 학술대회 |
2018년 가을 (10/31 ~ 11/02, 제주국제컨벤션센터(ICC JEJU)) |
| 권호 |
22권 2호 |
| 발표분야 |
생물공학_포스터 |
| 제목 |
Molecular dynamics simulation of histidine tautomeric effect on homodimeric structure of amyloid-beta peptide (1-40) |
| 초록 |
As a main reason of dementia, the Alzheimer disease (AD) is related to the amyloid-beta peptide (Aβ) accumulation in the brain. We investigated histidine tautomeric effect on homodimeric strucutre of amyloid-beta peptide (Aβ). Here (δδδ) and (εεε) tautomers of histidine with different initial dimeric configurations were performed to elucidate structural changes during aggregation using GROMACS software. Results indicate that (εεε) homodimers may have very low propensity or almost no tendency to form β-sheet. However in (δδδ) dimers higher tendency for β-sheet formation during aggregation which is related to toxicity can be observed. Most importantly, β-sheet formation in (δδδ) dimers can be found in almost same regions (CHC and C-/N- terminal) for different conformations. Our study may provide deeper insight into tautomeric behavior of histidine on Aβ (1-40) aggregation which may lead to have comprehensive understanding of AD formation. |
| 저자 |
LI HAO, Salimi Abbas, 이진용
|
| 소속 |
성균관대 |
| 키워드 |
Alzheimer disease; Amyloid beta peptide; tautomeric effect
|
| E-Mail |
|
