Transactions of the Korean Society of Mechanical Engineers A (대한기계학회논문집A)

The Korean Society of Mechanical Engineers (대한기계학회)
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End-Terminal Capping Effect on Mechanical Property of Transthyretin (TTR105-115) Amyloid Fibril

End-terminal Capping 효과가 아밀로이드 섬유의 기계적 특성에 미치는 영향 연구

  • Received : 2017.01.18
  • Accepted : 2017.04.04
  • Published : 2017.07.01
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Abstract

The understanding of the mechanical properties of amyloid fibers, which induce various neurodegenerative diseases, is directly related to the amyloid growth mechanism. Diverse studies have been performed on amyloid fibers from the viewpoint of disease epidemiology. Recently, attempts have been made to use amyloid fibers as new materials because of their notable mechanical properties and self-aggregation abilities. In this study, the mechanical properties of transthyretin (TTR105-115), which induces cardiovascular disease, were evaluated using a molecular dynamics (MD) simulation. In particular, the effect of the end-terminal capping on the structural stability of TTR105-115 was evaluated. The mechanical behavior and properties of TTR105-115 were measured by steered molecular dynamics (SMD). We clarified the factors affecting the mechanical properties of these materials and suggested the possibility of utilizing them as nature inspired materials.

다양한 신경성 퇴행 질병을 유발하는 아밀로이드 섬유의 기계적 특징에 대한 이해는 아밀로이드 성장 메커니즘에 직접 관련되어 있기 때문에 질병 역학적 관점에서 많은 연구 진행 되어 왔다. 최근 아밀로이드 섬유의 높은 물성 값과 자가 결합능력을 통해 새로운 재료로 이용 하려는 시도가 진행되고 있다. 본 연구에서는 심혈관 질환을 유발하는 transthyretin($TTR_{105-115}$)의 핵심 영역의 기계적 특성을 분자 동역학 전산 역학을 통해 평가했다. 특히 end-terminal capping의 효과가 $TTR_{105-115}$의 구조적 안정성에 미치는 영향을 평가했다. 인장모사 분자 동역학을 통해(steered molecular dynamics, SMD) 기계적 거동과 물성을 측정하였다. 재료의 기계적 특성에 영향을 주는 인자를 밝히고 자연 모사 재료로써의 활용 가능성에 대한 제시를 하였다.

Keywords

References

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