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000153348 1001_ $$0P:(DE-HGF)0$$aOlubiyi, Olujide$$b0
000153348 245__ $$aAmyloid Aggregation Inhibitory Mechanism of Arginine-rich D-peptides
000153348 260__ $$aHilversum [u.a.]$$bBentham Science Publ.$$c2014
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000153348 500__ $$aCampus-weite Veröffentlichung erwünschtD. Willbold und B. Strodel sind beide "Corresponding Authors".
000153348 520__ $$aIt is widely believed that Alzheimer's disease pathogenesis is driven by the production and deposition of the amyloid-β peptide (Aβ) in the brain. In this study, we employ a combination of in silico and in vitro approaches to investigate the inhibitory properties of selected arginine-rich D-enantiomeric peptides (D-peptides) against amyloid aggregation. The D-peptides include D3, a 12-residue peptide with anti-amyloid potencies demonstrated in vitro and in vivo, RD2, a scrambled sequence of D3, as well as truncated RD2 variants. Using a global optimization method together with binding free energy calculations followed by molecular dynamics simulations, we perform a detailed analysis of D-peptide binding to Aβ monomer and a fibrillar Aβ structure. Results obtained from both molecular simulations and surface plasmon resonance experiments reveal a strong binding of D3 and RD2 to Aβ, leading to a significant reduction in the amount of β structures in both monomer and fibril, which was also demonstrated in Thioflavin T assays. The binding of the D-peptides to Aβ is driven by electrostatic interactions, mostly involving the D-arginine residues and Glu11, Glu22 and Asp23 of Aβ. Furthermore, we show that the anti-amyloid activities of the D-peptides depend on the length and sequence of the Dpeptide, its ability to form multiple weak hydrophobic interactions with Aβ, as well as the Aβ oligomer size.
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000153348 7001_ $$0P:(DE-Juel1)145441$$aFrenzel, Daniel$$b1
000153348 7001_ $$0P:(DE-HGF)0$$aBartnik, Dirk$$b2
000153348 7001_ $$0P:(DE-HGF)0$$aGlück, Julian$$b3
000153348 7001_ $$0P:(DE-HGF)0$$aBrener, O.$$b4
000153348 7001_ $$0P:(DE-Juel1)162443$$aNagel-Steger, Luitgard$$b5
000153348 7001_ $$0P:(DE-HGF)0$$aFunke, S. A.$$b6
000153348 7001_ $$0P:(DE-Juel1)132029$$aWillbold, Dieter$$b7$$eCorresponding Author
000153348 7001_ $$0P:(DE-Juel1)132024$$aStrodel, Birgit$$b8
000153348 773__ $$0PERI:(DE-600)2034240-8$$p1448-1457$$tCurrent medicinal chemistry$$v21$$x1875-533X$$y2014
000153348 8564_ $$uhttp://www.ingentaconnect.com/content/ben/cmc/2014/00000021/00000012/art00005
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