Molecular dynamic studies of amyloid-beta interactions with curcumin and Cu2+ ions
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14740%2F15%3A00084946" target="_blank" >RIV/00216224:14740/15:00084946 - isvavai.cz</a>
Result on the web
<a href="http://www.degruyter.com/view/j/chempap.2015.69.issue-9/chempap-2015-0134/chempap-2015-0134.xml" target="_blank" >http://www.degruyter.com/view/j/chempap.2015.69.issue-9/chempap-2015-0134/chempap-2015-0134.xml</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1515/chempap-2015-0134" target="_blank" >10.1515/chempap-2015-0134</a>
Alternative languages
Result language
angličtina
Original language name
Molecular dynamic studies of amyloid-beta interactions with curcumin and Cu2+ ions
Original language description
Amyloid-beta (A beta) peptide readily forms aggregates that are associated with Alzheimer's disease. Transition metals play a key role in this process. Recently, it has been shown that curcumin (CUA), a polyphenolic phytochemical, inhibits the aggregation of A beta peptide. However, interactions of A beta peptide with metal ions or CUA are not entirely clear. In this work, molecular dynamics (MD) simulations were carried out to clear the nature of interactions between the 42-residue A beta peptide (A beta-42) and Cu2+ ions and CUA. Altogether nine different models were investigated, and more than 2 mu s of the simulation data were analyzed. The models represent the possible modes of arrangement between A beta-42 and Cu2+ ions and CUA, respectively, andwere used to shed light on the A beta-42 conformational behavior in the presence of Cu2+ ions and CUA molecules.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CE - Biochemistry
OECD FORD branch
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Result continuities
Project
<a href="/en/project/ED1.1.00%2F02.0068" target="_blank" >ED1.1.00/02.0068: Central european institute of technology</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Chemical papers
ISSN
0366-6352
e-ISSN
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Volume of the periodical
69
Issue of the periodical within the volume
9
Country of publishing house
DE - GERMANY
Number of pages
15
Pages from-to
1262-1276
UT code for WoS article
000355416200014
EID of the result in the Scopus database
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