Study on electronic properties, thermodynamic and kinetic parameters of the selected platinum(II) derivatives interacting with guanine

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F17%3A10367399" target="_blank" >RIV/00216208:11320/17:10367399 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.jinorgbio.2017.04.006" target="_blank" >http://dx.doi.org/10.1016/j.jinorgbio.2017.04.006</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.jinorgbio.2017.04.006" target="_blank" >10.1016/j.jinorgbio.2017.04.006</a>

Result language
angličtina
Original language name
Study on electronic properties, thermodynamic and kinetic parameters of the selected platinum(II) derivatives interacting with guanine
Original language description
Interaction of hydrated forms of several potential anticancer agents (PtCl2(diaminocyclohexane), trans-[PtCl2(NH3)(thiazole)], cis-[PtCl2(NH3)(piperidine)), and cis-PtCl2(NH3)(cyclohexylamine) complexes) with guanine are explored and compared with an analogous interaction of cisplatin. Basic electronic properties, binding and stabilization energies are determined and energy profiles for the aquation reaction are estimated at the B3LYP/6-311 + +G(2df,2pd) level of theory. It is found that the substitution reaction is art exothermic and exergonic process with Delta G slightly less negative than - 20 kcal/mol. The largest energy release occurs for PtCl(H2O)(diaminocyclohexane) complex. The rate constants for the Pt(II) complexes in the chloro- and hydroxoform are compared and an impact of the ligand in the trans position to water is discussed.
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
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OECD FORD branch
10301 - Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)

Project
<a href="/en/project/GA16-06240S" target="_blank" >GA16-06240S: Structure and dynamics of organometallic complexes in bio-environment.</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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