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Volumn 17, Issue 10, 2011, Pages 2423-2442

Can molecular dynamics simulations assist in design of specific inhibitors and imaging agents of amyloid aggregation? Structure, stability and free energy predictions for amyloid oligomers of VQIVYK, MVGGVV and LYQLEN

Author keywords

sheet; Aggregation; Amyloid fibril; Binding free energy; Cross structure; MM PBSA; Molecular dynamic simulation; Oligomer; Secondary structure; Steric zipper

Indexed keywords

AMYLOID; AMYLOID BETA PROTEIN; GLYCINE; HEXAPEPTIDE; INSULIN; OLIGOMER; TAU PROTEIN;

EID: 80255138062     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-010-0912-4     Document Type: Article
Times cited : (19)

References (53)
  • 1
    • 0347987853 scopus 로고    scopus 로고
    • Folding proteins in fatal ways
    • DOI 10.1038/nature02264
    • DJ Selkoe 2003 Nature 426 900 904 10.1038/nature02264 1:CAS:528:DC%2BD3sXpvVGmur4%3D (Pubitemid 38056883)
    • (2003) Nature , vol.426 , Issue.6968 , pp. 900-904
    • Selkoe, D.J.1
  • 2
    • 36048941372 scopus 로고    scopus 로고
    • Peptide fibrillization
    • DOI 10.1002/anie.200700861
    • IW Hamley 2007 Angew Chem Int Edit 46 8128 8147 10.1002/anie.200700861 1:CAS:528:DC%2BD2sXhtlCksbzK (Pubitemid 350096583)
    • (2007) Angewandte Chemie - International Edition , vol.46 , Issue.43 , pp. 8128-8147
    • Hamley, I.W.1
  • 4
    • 33645995764 scopus 로고    scopus 로고
    • 10.1016/j.sbi.2006.03.007 1:CAS:528:DC%2BD28Xjs1Grsbk%3D
    • R Nelson D Eisenberg 2006 Cur Opin Struct Biol 16 260 265 10.1016/j.sbi.2006.03.007 1:CAS:528:DC%2BD28Xjs1Grsbk%3D
    • (2006) Cur Opin Struct Biol , vol.16 , pp. 260-265
    • Nelson, R.1    Eisenberg, D.2
  • 11
    • 43849090507 scopus 로고    scopus 로고
    • 10.1529/biophysj.107.118935 10.1529/biophysj.107.118935 1:CAS:528:DC%2BD1cXlsF2hu78%3D
    • L Esposito A Paladino C Pedone L Vitagliano 2008 Biophys J 94 4031 4040 10.1529/biophysj.107.118935 10.1529/biophysj.107.118935 1:CAS:528: DC%2BD1cXlsF2hu78%3D
    • (2008) Biophys J , vol.94 , pp. 4031-4040
    • Esposito, L.1    Paladino, A.2    Pedone, C.3    Vitagliano, L.4
  • 14
    • 33846781516 scopus 로고    scopus 로고
    • Dual binding modes of Congo red to amyloid protofibril surface observed in molecular dynamics simulations
    • DOI 10.1021/ja0662772
    • C Wu ZX Wang HX Lei W Zhang Y Duan 2007 J Am Chem Soc 129 1225 1232 10.1021/ja0662772 1:CAS:528:DC%2BD2sXlt1Crtg%3D%3D (Pubitemid 46208593)
    • (2007) Journal of the American Chemical Society , vol.129 , Issue.5 , pp. 1225-1232
    • Wu, C.1    Wang, Z.2    Lei, H.3    Zhang, W.4    Duan, Y.5
  • 15
    • 68849107584 scopus 로고    scopus 로고
    • 10.1016/j.bpj.2009.03.062 1:CAS:528:DC%2BD1MXpsFOmt7w%3D
    • JT Berryman SE Radford SA Harris 2009 Biophys J 97 1 11 10.1016/j.bpj.2009.03.062 1:CAS:528:DC%2BD1MXpsFOmt7w%3D
    • (2009) Biophys J , vol.97 , pp. 1-11
    • Berryman, J.T.1    Radford, S.E.2    Harris, S.A.3
  • 19
    • 70350153272 scopus 로고    scopus 로고
    • 10.1039/b807980n 1:CAS:528:DC%2BD1MXhtVSlsLbP
    • A Rauk 2009 Chem Soc Rev 38 2698 2715 10.1039/b807980n 1:CAS:528:DC%2BD1MXhtVSlsLbP
    • (2009) Chem Soc Rev , vol.38 , pp. 2698-2715
    • Rauk, A.1
  • 23
    • 0030801746 scopus 로고    scopus 로고
    • Academic, San Diego
    • Sunde M, Blake C (1997) Adv Prot Chem, Vol 50. Academic, San Diego, pp 123-159
    • (1997) Adv Prot Chem , vol.50 , pp. 123-159
    • Sunde, M.1    Blake, C.2
  • 25
    • 29244479548 scopus 로고    scopus 로고
    • Independent heterologous fibrillation of insulin and its B-chain peptide
    • DOI 10.1021/bi051658y
    • DP Hong AL Fink 2005 Biochemistry 44 16701 16709 10.1021/bi051658y 1:CAS:528:DC%2BD2MXht1GmsrfE (Pubitemid 41832050)
    • (2005) Biochemistry , vol.44 , Issue.50 , pp. 16701-16709
    • Hong, D.-P.1    Fink, A.L.2
  • 29
    • 34548627237 scopus 로고    scopus 로고
    • Molecular dynamics simulations on the oligomer-formation process of the GNNQQNY peptide from yeast prion protein Sup35
    • DOI 10.1529/biophysj.106.100537
    • ZQ Zhang H Chen HJ Bai LH Lai 2007 Biophys J 93 1484 1492 10.1529/biophysj.106.100537 1:CAS:528:DC%2BD2sXpsVKisrY%3D (Pubitemid 47403294)
    • (2007) Biophysical Journal , vol.93 , Issue.5 , pp. 1484-1492
    • Zhang, Z.1    Chen, H.2    Bai, H.3    Lai, L.4
  • 34
    • 84857795750 scopus 로고    scopus 로고
    • http://www.doe-mbi.ucla.edu/∼sawaya/chime/xtalpept (2009)
  • 35
    • 84857796239 scopus 로고    scopus 로고
    • D.A. Case TAD TEC, III, Simmerling CL, Wang J, Duke RE, Luo R, Crowley M, Ross C. Walker, Zhang W, Merz KM, Wang B, Hayik S, Roitberg A, Seabra G, Kolossváry I, Wong KF, Paesani F, Vanicek J, Wu X, Brozell SR, Steinbrecher T, Gohlke H, Yang L, Tan C, Mongan J, Hornak V, Cui G, Mathews DH, Seetin MG, Sagui C, Babin V, Kollman PA (2008) University of California, San Francisco
    • D.A. Case TAD TEC, III, Simmerling CL, Wang J, Duke RE, Luo R, Crowley M, Ross C. Walker, Zhang W, Merz KM, Wang B, Hayik S, Roitberg A, Seabra G, Kolossváry I, Wong KF, Paesani F, Vanicek J, Wu X, Brozell SR, Steinbrecher T, Gohlke H, Yang L, Tan C, Mongan J, Hornak V, Cui G, Mathews DH, Seetin MG, Sagui C, Babin V, Kollman PA (2008) University of California, San Francisco
  • 37
  • 38
    • 0020997912 scopus 로고
    • 10.1002/bip.360221211 1:CAS:528:DyaL2cXkslegtQ%3D%3D
    • W Kabsch C Sander 1983 Biopolymers 22 2577 2637 10.1002/bip.360221211 1:CAS:528:DyaL2cXkslegtQ%3D%3D
    • (1983) Biopolymers , vol.22 , pp. 2577-2637
    • Kabsch, W.1    Sander, C.2
  • 39
  • 42
    • 0037135111 scopus 로고    scopus 로고
    • The amyloid hypothesis of Alzheimer's disease: Progress and problems on the road to therapeutics
    • DOI 10.1126/science.1072994
    • J Hardy DJ Selkoe 2002 Science 297 353 356 10.1126/science.1072994 1:CAS:528:DC%2BD38Xls1Cju7s%3D (Pubitemid 34790756)
    • (2002) Science , vol.297 , Issue.5580 , pp. 353-356
    • Hardy, J.1    Selkoe, D.J.2
  • 45
    • 0032479179 scopus 로고    scopus 로고
    • Anatomy of hot spots in protein interfaces
    • DOI 10.1006/jmbi.1998.1843
    • AA Bogan KS Thorn 1998 J Mol Biol 280 1 9 10.1006/jmbi.1998.1843 1:STN:280:DyaK1czhslSgtg%3D%3D (Pubitemid 28312802)
    • (1998) Journal of Molecular Biology , vol.280 , Issue.1 , pp. 1-9
    • Bogan, A.A.1    Thorn, K.S.2
  • 47
    • 57649138736 scopus 로고    scopus 로고
    • 10.1038/npp.2008.151 1:CAS:528:DC%2BD1cXhsVyru7rE
    • LL Blazer RR Neubig 2009 Neuropsychopharmacology 34 126 141 10.1038/npp.2008.151 1:CAS:528:DC%2BD1cXhsVyru7rE
    • (2009) Neuropsychopharmacology , vol.34 , pp. 126-141
    • Blazer, L.L.1    Neubig, R.R.2
  • 48
    • 40949119905 scopus 로고    scopus 로고
    • Neurochemical approaches of cerebrospinal fluid diagnostics in neurodegenerative diseases
    • DOI 10.1016/j.ymeth.2007.06.012, PII S1046202307001259
    • M Otto P Lewczuk J Wiltfang 2008 Methods 44 289 298 10.1016/j.ymeth.2007. 06.012 1:CAS:528:DC%2BD1cXktV2ks7o%3D (Pubitemid 351406506)
    • (2008) Methods , vol.44 , Issue.4 , pp. 289-298
    • Otto, M.1    Lewczuk, P.2    Wiltfang, J.3
  • 50
    • 8544272519 scopus 로고    scopus 로고
    • Inhibition of islet amyloid polypeptide fibril formation: A potential role for heteroaromatic interactions
    • DOI 10.1021/bi048582a
    • Y Porat Y Mazor S Efrat E Gazit 2004 Biochemistry 43 14454 14462 10.1021/bi048582a 1:CAS:528:DC%2BD2cXos1WjtLY%3D (Pubitemid 39491980)
    • (2004) Biochemistry , vol.43 , Issue.45 , pp. 14454-14462
    • Porat, Y.1    Mazor, Y.2    Efrat, S.3    Gazit, E.4
  • 53
    • 65549161050 scopus 로고    scopus 로고
    • 10.2174/138161209787315648 1:CAS:528:DC%2BD1MXkvVSns7g%3D
    • YS Kim JH Lee J Ryu DJ Kim 2009 Curr Pharm Des 15 637 658 10.2174/138161209787315648 1:CAS:528:DC%2BD1MXkvVSns7g%3D
    • (2009) Curr Pharm des , vol.15 , pp. 637-658
    • Kim, Y.S.1    Lee, J.H.2    Ryu, J.3    Kim, D.J.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.