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Generation of soluble oligomeric beta-amyloid species via copper catalyzed oxidation with implications for Alzheimer's disease: A DFT study
KTH, School of Chemical Science and Engineering (CHE), Chemistry, Physical Chemistry.
KTH, School of Chemical Science and Engineering (CHE), Chemistry, Physical Chemistry.ORCID iD: 0000-0003-2673-075X
2010 (English)In: Journal of Molecular Modeling, ISSN 1610-2940, E-ISSN 0948-5023, Vol. 16, no 6, 1103-1108 p.Article in journal (Refereed) Published
Abstract [en]

A mechanism for the oxidation of a dimeric beta-amyloid copper ion complex is proposed based on DFT calculations. It involves the Met35 residue, which is believed to be important in the neurotoxicity causing Alzheimer's disease. Oxidation of Met35 is found to proceed readily with dioxygen when two Met35 residues are close to each other and the copper ion. This indicates that oxidants, such as hydrogen peroxide, are not necessary for oxidation of beta-amyloid copper ion complexes. Understanding these processes could be pivotal in gaining more knowledge of this complex disease and for the development of therapeutic treatments.

Place, publisher, year, edition, pages
2010. Vol. 16, no 6, 1103-1108 p.
Keyword [en]
Alzheimer's disease, beta-amyloid, Copper ion, Met35, Molecular modeling, Oxidation
National Category
Chemical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-28228DOI: 10.1007/s00894-009-0619-6ISI: 000277202700005Scopus ID: 2-s2.0-77955171427OAI: oai:DiVA.org:kth-28228DiVA: diva2:389486
Note
QC 20110119Available from: 2011-01-19 Created: 2011-01-12 Last updated: 2017-12-11Bibliographically approved

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Brinck, Tore

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