Human Prion Protein Helices: Studying Their Stability by Molecular Dynamics Simulations

被引:3
|
作者
Costantini, Susan [1 ,2 ,3 ]
Facchiano, Angelo M. [1 ,2 ]
机构
[1] CNR, Inst Food Sci, Lab Bioinformat & Computat Biol, I-83100 Avellino, Italy
[2] Univ Naples 2, CRISCEB, I-80138 Naples, Italy
[3] CROM Fiorentino Lo Vuolo, I-83013 Mercogliano, Italy
来源
PROTEIN AND PEPTIDE LETTERS | 2009年 / 16卷 / 09期
关键词
Prion; helix stability; helix propensity; molecular dynamics; helical peptides; FOLDING PROBLEM; STABILIZATION; DETERMINANTS; PARAMETERS; INSIGHTS; BINDING;
D O I
10.2174/092986609789055313
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
To study the intrinsic structural properties of three human prion helices and analyse their stability, we conducted molecular dynamics simulations, applied helix propensity predictions and evaluated the energetic contribution of the helical regions to the PrP protein stability. Our results suggest that three helices present different stability and the helix 2 results the least stable.
引用
收藏
页码:1057 / 1062
页数:6
相关论文
共 50 条
  • [21] Influence of the environment in the conformation of α-helices studied by protein database search and molecular dynamics simulations
    Olivella, M
    Deupi, X
    Govaerts, C
    Pardo, L
    BIOPHYSICAL JOURNAL, 2002, 82 (06) : 3207 - 3213
  • [22] TRAJELIX: A computational tool for the geometric characterization of protein helices during molecular dynamics simulations
    Mezei, M
    Filizola, M
    JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2006, 20 (02) : 97 - 107
  • [23] TRAJELIX: A Computational Tool for the Geometric Characterization of Protein Helices During Molecular Dynamics Simulations
    Mihaly Mezei
    Marta Filizola
    Journal of Computer-Aided Molecular Design, 2006, 20 : 97 - 107
  • [24] Statistical analysis and molecular dynamics simulations of ambivalent α-helices
    Bhattacharjee, Nicholus
    Biswas, Parbati
    BMC BIOINFORMATICS, 2010, 11
  • [25] Alamethicin helices in a bilayer and in solution: Molecular dynamics simulations
    Tieleman, DP
    Sansom, MSP
    Berendsen, HJC
    BIOPHYSICAL JOURNAL, 1999, 76 (01) : 40 - 49
  • [26] The stability of transmembrane helices: A molecular dynamics study on the isolated helices of bacteriorhodopsin
    Iyer, LK
    Vishveshwara, S
    BIOPOLYMERS, 1996, 38 (03) : 401 - 421
  • [27] MOLECULAR-DYNAMICS SIMULATIONS OF ISOLATED HELICES OF MYOGLOBIN
    HIRST, JD
    BROOKS, CL
    BIOCHEMISTRY, 1995, 34 (23) : 7614 - 7621
  • [28] Statistical analysis and molecular dynamics simulations of ambivalent α -helices
    Nicholus Bhattacharjee
    Parbati Biswas
    BMC Bioinformatics, 11
  • [29] Molecular dynamics simulations of wild-type and point mutation human prion protein at normal and elevated temperature
    El-Bastawissy, E
    Knaggs, MH
    Gilbert, IH
    JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2001, 20 (02): : 145 - 154
  • [30] The intrinsic stability of the human prion β-sheet region investigated by molecular dynamics
    De Simone, Alfonso
    Stanzione, Francesca
    Marasco, Daniela
    Vitagliano, Luigi
    Esposito, Luciana
    JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2013, 31 (05): : 441 - 452