화학공학소재연구정보센터
학회 한국공업화학회
학술대회 2019년 가을 (10/30 ~ 11/01, 제주국제컨벤션센터(ICC JEJU))
권호 23권 2호
발표분야 포스터_생체재료
제목 Tautomeric Effect of Histidine on the Structural Properties of Aβ40 heterodimers
초록 Alzheimer’s disease (AD) is the most common form of dementia occurred in the elderly that affected more than 40 million people across the world resulting in enormous social and economic impact. The intrinsic origin of amyloid aggregation still remains to be considered. The aggregation mechanism affected by the tautomeric state (δ and ε) of histidine residues (H6, H13, and H14) was previously investigated in Aβ40 and Aβ42 monomers. Molecular dynamics simulation results show different aggregation trends in the different heterodimers formed by the (εεε) and other isomers. In the (εεε:δδδ) dimer, the highest β-sheet content was obtained in the (δδδ) chain, consistent with our previous studies that showed the (δδδ) monomer most easily form a β-sheet secondary structure in the monomer. Further analysis confirmed that the (εεε:δδδ) dimer is more likely to aggregate than other heterodimers. The current research helps to understand the pathology AD.
저자 LI HAO, Salimi Abbas, 이진용
소속 성균관대
키워드 AD; Aβ40; aggregation; histidine; tautomerism
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