Tautomerization Effect of Histidines on Oligomer Aggregation of β-Amyloid(1-40/42) during the Early Stage: Tautomerism Hypothesis for Misfolding Protein Aggregation

ACS Chemical Neuroscience
Xiaofeng XingHongqi Ai

Abstract

As the intrinsic origin of the hypothesis for β-amyloid (Aβ) from Alzheimer's disease, histidine behaviors were found to play a crucial role in Aβ aggregation. To investigate the histidine behaviors during the early stage of aggregation, Aβ40/42 pentamers with different histidine isomer states were simulated at the atomic level. Results show that five Aβ40 (δδδ) and Aβ42 (εδδ) monomers can rapidly decrease the aggregation threshold, promote stable pentamer formation, and increase pentamer contents by 51.8% and 56.7%, respectively, as compared with the values of their wild-type (εεε) counterparts. Additionally, pentamers of Aβ40 (δδδ) and Aβ42 (εδδ) have different aggregation pathways and disassembly species, Tr+D and Te+M, during the growth of the pentamer. This work discloses the significance of histidine tautomerization in Aβ aggregation, implying a potential way to control Aβ aggregation and develop the assembly inhibitors.

References

Jun 1, 1985·Proceedings of the National Academy of Sciences of the United States of America·C L MastersK Beyreuther
Oct 6, 2000·Amyloid : the International Journal of Experimental and Clinical Investigation : the Official Journal of the International Society of Amyloidosis·Y FezouiD B Teplow
Feb 28, 2002·Journal of the American Chemical Society·Bernard HenryJean-Jacques Delpuech
Nov 7, 2002·Journal of the American Chemical Society·Ivaylo Ivanov, Michael L Klein
Dec 31, 2002·Proceedings of the National Academy of Sciences of the United States of America·Gal BitanDavid B Teplow
Dec 20, 2003·Nature·Dennis J Selkoe
Feb 17, 2005·Journal of the American Chemical Society·Summer L BernsteinMichael T Bowers
Aug 13, 2005·Journal of Molecular Biology·Claire GoldsburyShirley A Müller
Oct 8, 2005·Journal of Computational Chemistry·David Van Der SpoelHerman J C Berendsen
Feb 28, 2006·Journal of Molecular Biology·Iris A MastrangeloSteven O Smith
Mar 17, 2006·Nature·Sylvain LesnéKaren H Ashe
Mar 28, 2006·Biophysical Journal·Anant K ParavastuRobert Tycko
May 4, 2007·The Journal of Physical Chemistry. a·Zhijian HuangCe Song
Aug 4, 2009·The Journal of Physical Chemistry. B·Marcelo F MasmanPaul G M Luiten
Apr 22, 2010·Proteins·Kresten Lindorff-LarsenDavid E Shaw
Sep 9, 2010·Journal of the American Chemical Society·Birgit StrodelDavid J Wales
Nov 17, 2012·Journal of Molecular Biology·Robin RoychaudhuriDavid B Teplow
Feb 15, 2013·The Journal of Chemical Physics·O GonzalezJ H Maddocks
Jan 29, 2014·Chemical Communications : Chem Comm·Bogdan BarzBirgit Strodel
Apr 10, 2014·The Journal of Physical Chemistry. B·Ayanjeet GhoshFeng Gai
Mar 20, 2015·Chemical Reviews·Jessica Nasica-LabouzePhilippe Derreumaux
Feb 4, 2016·Journal of the American Chemical Society·Nicholas J EconomouMichael T Bowers
Jun 30, 2016·Journal of the American Chemical Society·Michael T ColvinRobert G Griffin
Oct 19, 2016·The Journal of Physical Chemistry. B·Hu ShiJin Yong Lee
Nov 16, 2016·Molecular BioSystems·L Dorosh, M Stepanova
Mar 8, 2017·FEBS Letters·Kristoffer BrännströmAnders Olofsson
Mar 16, 2017·ACS Chemical Neuroscience·Hu Shi, Jin Yong Lee
Dec 14, 2017·Journal of the American Chemical Society·Bogdan BarzBirgit Strodel

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Citations

Aug 6, 2020·International Journal of Molecular Sciences·Francesco TavantiMaria Cristina Menziani
Nov 5, 2020·ACS Chemical Neuroscience·Sompriya ChatterjeeJin Yong Lee
Jun 22, 2021·International Journal of Biological Macromolecules·Abbas SalimiJin Yong Lee
Jun 20, 2020·Journal of Chemical Information and Modeling·Hao LiJin Yong Lee
Nov 5, 2021·ACS Chemical Neuroscience·Hao LiJin Yong Lee

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