Theoretical studies of interactions between imidazopyridopyrimidines and guanine
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389013%3A_____%2F08%3A00309608" target="_blank" >RIV/61389013:_____/08:00309608 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Theoretical studies of interactions between imidazopyridopyrimidines and guanine
Original language description
The intrinsic contributions to the stabilization of imidazopyridopyrimidine-containing DNA duplexes, which are new, promising unnatural DNA motifs, were discussed. The MP2/6-31G*(0.25) interaction energies for the optimal HF/6-31G** hydrogen-bonding arrangements of the complexes between the respective imidazopyridopyrimidine derivatives and guanine covered the range from ?60.0 to ?101.7 kJ/mol. The MP2/6-31G*(0.25) stacking energies were investigated for a variety of vertical and angular orientations. For some of them, the stacking interaction was found to be competitive to the hydrogen-bonding.
Czech name
Teoretický popis interakcí mezi imidazopyridopyrimidiny a guaninem
Czech description
Byly diskutovány vlivy na stabilitu duplexů DNA obsahujících imidazopyridopyrimidiny, což jsou nové důležité motivy modifikované DNA. Na úrovni MP2/6-31G*(0.25) byly určeny interakční energie pro tvorbu vodíkových vazeb a pro případ stackingu mezi imidazopyridopyrimidiny a guaninem. Pro některé orientace byla velikost stackingové interakce srovnatelná se sílou vodíkových vazeb.
Classification
Type
D - Article in proceedings
CEP classification
CD - Macromolecular chemistry
OECD FORD branch
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Result continuities
Project
<a href="/en/project/KJB400500602" target="_blank" >KJB400500602: The Theory of Stability and Selectivity of Unnatural DNA Nucleobases</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2008
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Article name in the collection
Proceedings of the 9th WSEAS International Conference on Mathematics and Computers in Biology and Chemistry
ISBN
978-960-6766-75-6
ISSN
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e-ISSN
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Number of pages
4
Pages from-to
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Publisher name
Academia Romana
Place of publication
Bucharest
Event location
Bucharest
Event date
Jun 24, 2008
Type of event by nationality
WRD - Celosvětová akce
UT code for WoS article
000258094800030