Molecular dynamical simulations of point mutation occurring at the 198-th site of prion protein

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	Molecular dynamical simulations of point mutation occurring at the 198-th site of prion protein
	Zhang, Y , Chinese Acad Sci, Inst Phys, Lab Soft Matter Phys, Beijing Natl Lab Condensed Matter Phys, POB 603, Beijing 100080, Peoples R China; Wang, Peng-Ye; Ou-Yang, Zhong-Can; Zhang, Yong; Qian, Jun
刊名	JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE
	2006
卷号	3 期号:6 页码:964-969
关键词	Scrapie Conversion Stability Diseases
ISSN号	1546-1955
英文摘要	According to a kinetic model for understanding configurational conversion of the prion protein from PrP(C) to PrP(Sc) introduced by Morrissey and Shakhnovich [M. P. Morrissey and E. I. Shakhnovich, Proc. Natl. Acad. Sci. USA 96, 11293 (1999).], H1, an alpha-helix segment present in PrP(C), plays a vital role in the procedure. By employing molecular dynamics, we simulate the conversions of wild type, F198S, F198N, F198G, F198K, F198E, F198M, F198C, F198A, F198D, and F198T, in which F198S is known to induce the formation of PrP(Sc). Our simulations show that H1s in F198S, F198N, F198G, F198K, and F198E are less stable than H1s in the remaining six strains. Our results therefore suggest a possible scheme to test the kinetic model via experiment. Codons coding these amino acids may explain why transition from PrP(C) to PrP(Sc) induced by F198N, F198G, F198K, and F198E are not present in clinical observations.
学科主题	Physics
URL标识	查看原文
WOS记录号	WOS:000242873800012
公开日期	2012-08-02
内容类型	期刊论文
源URL	[http://ir.itp.ac.cn/handle/311006/5845]
专题	理论物理研究所_理论物理所1978-2010年知识产出
通讯作者	Zhang, Y , Chinese Acad Sci, Inst Phys, Lab Soft Matter Phys, Beijing Natl Lab Condensed Matter Phys, POB 603, Beijing 100080, Peoples R China
推荐引用方式 GB/T 7714	Zhang, Y , Chinese Acad Sci, Inst Phys, Lab Soft Matter Phys, Beijing Natl Lab Condensed Matter Phys, POB 603, Beijing 100080, Peoples R China,Wang, Peng-Ye,Ou-Yang, Zhong-Can,et al. Molecular dynamical simulations of point mutation occurring at the 198-th site of prion protein[J]. JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE,2006,3(6):964-969.
APA	Zhang, Y , Chinese Acad Sci, Inst Phys, Lab Soft Matter Phys, Beijing Natl Lab Condensed Matter Phys, POB 603, Beijing 100080, Peoples R China,Wang, Peng-Ye,Ou-Yang, Zhong-Can,Zhang, Yong,&Qian, Jun.(2006).Molecular dynamical simulations of point mutation occurring at the 198-th site of prion protein.JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE,3(6),964-969.
MLA	Zhang, Y , Chinese Acad Sci, Inst Phys, Lab Soft Matter Phys, Beijing Natl Lab Condensed Matter Phys, POB 603, Beijing 100080, Peoples R China,et al."Molecular dynamical simulations of point mutation occurring at the 198-th site of prion protein".JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE 3.6(2006):964-969.