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000905388 1001_ $$00000-0002-3635-1609$$aBocharov, Eduard V.$$b0
000905388 245__ $$aAll - d - Enantiomeric Peptide D3 Designed for Alzheimer’s Disease Treatment Dynamically Interacts with Membrane-Bound Amyloid-β Precursors
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000905388 520__ $$aAlzheimer’s disease (AD) is a severe neurodegenerative pathology with no effective treatment known. Toxic amyloid-β peptide (Aβ) oligomers play a crucial role in AD pathogenesis. All-d-Enantiomeric peptide D3 and its derivatives were developed to disassemble and destroy cytotoxic Aβ aggregates. One of the D3-like compounds is approaching phase II clinical trials; however, high-resolution details of its disease-preventing or pharmacological actions are not completely clear. We demonstrate that peptide D3 stabilizing Aβ monomer dynamically interacts with the extracellular juxtamembrane region of a membrane-bound fragment of an amyloid precursor protein containing the Aβ sequence. MD simulations based on NMR measurement results suggest that D3 targets the amyloidogenic region, not compromising its α-helicity and preventing intermolecular hydrogen bonding, thus creating prerequisites for inhibition of early steps of Aβ conversion into β-conformation and its toxic oligomerization. An enhanced understanding of the D3 action molecular mechanism facilitates development of effective AD treatment and prevention strategies.
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000905388 7001_ $$0P:(DE-Juel1)145165$$aGremer, Lothar$$b1
000905388 7001_ $$0P:(DE-HGF)0$$aUrban, Anatoly S.$$b2
000905388 7001_ $$00000-0002-1053-2778$$aOkhrimenko, Ivan S.$$b3
000905388 7001_ $$0P:(DE-HGF)0$$aVolynsky, Pavel E.$$b4
000905388 7001_ $$0P:(DE-HGF)0$$aNadezhdin, Kirill D.$$b5
000905388 7001_ $$0P:(DE-HGF)0$$aBocharova, Olga V.$$b6
000905388 7001_ $$0P:(DE-HGF)0$$aKornilov, Daniil A.$$b7
000905388 7001_ $$0P:(DE-HGF)0$$aZagryadskaya, Yuliya A.$$b8
000905388 7001_ $$0P:(DE-HGF)0$$aKamynina, Anna V.$$b9
000905388 7001_ $$00000-0001-5322-3580$$aKuzmichev, Pavel K.$$b10
000905388 7001_ $$0P:(DE-Juel1)159137$$aKutzsche, Janine$$b11$$ufzj
000905388 7001_ $$0P:(DE-Juel1)180739$$aBolakhrif, Najoua$$b12$$ufzj
000905388 7001_ $$0P:(DE-HGF)0$$aMüller-Schiffmann, Andreas$$b13
000905388 7001_ $$0P:(DE-HGF)0$$aDencher, Norbert A.$$b14
000905388 7001_ $$0P:(DE-HGF)0$$aArseniev, Alexander S.$$b15
000905388 7001_ $$00000-0002-5474-4721$$aEfremov, Roman G.$$b16
000905388 7001_ $$0P:(DE-Juel1)131964$$aGordeliy, Valentin I.$$b17$$eCorresponding author
000905388 7001_ $$0P:(DE-Juel1)132029$$aWillbold, Dieter$$b18$$eCorresponding author
000905388 773__ $$0PERI:(DE-600)1491411-6$$a10.1021/acs.jmedchem.1c00632$$gVol. 64, no. 22, p. 16464 - 16479$$n22$$p16464 - 16479$$tJournal of medicinal chemistry$$v64$$x0022-2623$$y2021
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