Rules governing metal coordination in Aβ–Zn(<scp>ii</scp>) complex models from quantum mechanical calculations-Reference-Cited by-同舟云学术

Rules governing metal coordination in Aβ–Zn(ii) complex models from quantum mechanical calculations

Published:2023 Issue:40 Volume:25 Page:27618-27627
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Aduriz-Arrizabalaga Julen¹,Mercero Jose M.¹^ORCID,De Sancho David¹^ORCID,Lopez Xabier¹^ORCID

Affiliation:

1. Polimero eta Material Aurreratuak: Fisika, Kimika eta Teknologia, Kimika Fakultatea, UPV/EHU & Donostia International Physics Center (DIPC), PK 1072, 20018 Donostia-San Sebastian, Euskadi, Spain

Abstract

QM cluster calculations explain the tendency found in the PDB of Aβ–Zn(ii) complexes to be arranged in tetrahedral coordination shells with Zn(ii) interacting with mixed His and Glu/Asp residues.

Funder

Ministerio de Economía y Competitividad

Eusko Jaurlaritza

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP02070C

Reference42 articles.

1. Dementia, https://www.who.int/news-room/fact-sheets/detail/dementia , Accessed: 2023-02-14

2. Metals in Alzheimer's and Parkinson's Diseases

3. Effects of Cyclen and Cyclam on Zinc(II)- and Copper(II)-Induced Amyloid β-Peptide Aggregation and Neurotoxicity

4. Structures and free energy landscapes of aqueous zinc(II)-bound amyloid-β(1–40) and zinc(II)-bound amyloid-β(1–42) with dynamics

5. The Amyloid Hypothesis of Alzheimer's Disease: Progress and Problems on the Road to Therapeutics

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