Binding of Divalent Cations to Insulin: Capillary Electrophoresis and Molecular Simulations

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F18%3A00490919" target="_blank" >RIV/61388963:_____/18:00490919 - isvavai.cz</a>
Alternative codes found
RIV/61388955:_____/18:00492074 RIV/00216208:11310/18:10376276
Result on the web
<a href="https://pubs.acs.org/doi/10.1021/acs.jpcb.7b12097" target="_blank" >https://pubs.acs.org/doi/10.1021/acs.jpcb.7b12097</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.jpcb.7b12097" target="_blank" >10.1021/acs.jpcb.7b12097</a>

Result language
angličtina
Original language name
Binding of Divalent Cations to Insulin: Capillary Electrophoresis and Molecular Simulations
Original language description
In the present study, we characterize the binding of divalent cations to insulin in aqueous salt solutions by means of capillary electrophoresis and molecular dynamics simulations. The results show a strong pH dependence. At low pH, at which all the carboxylate groups are protonated and the protein has an overall positive charge, all the cations exhibit only weak and rather unspecific interactions with insulin. In contrast, at close to neutral pH, when all the carboxylate groups are deprotonated and negatively charged, the charge-neutralizing effect of magnesium, calcium, and zinc, in particular, on the electrophoretic mobility of insulin is significant. This is also reflected in the results of molecular dynamics simulations showing accumulation of cations at the protein surface, which becomes smaller in magnitude upon effective inclusion of electronic polarization via charge rescaling.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10403 - Physical chemistry

Project
<a href="/en/project/GA16-01074S" target="_blank" >GA16-01074S: Beyond the Hofmeister Series: From Molecular Understanding of Specific Ion Effects to their Biological Function</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2018
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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