Geodesic
Theoretical study of nucleoside-$5'$-phosphorazolide-$2',3'$-cyclo(thio)\-carbonate formation possibility in reaction of nucleotides and $N,N'$-acylbisazoles by quantum-chemical methods
Vestnik Samarskogo universiteta. Estestvennonaučnaâ seriâ, no. 3 (2014), pp. 148-153

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Nucleoside-$5'$-phosphates and $N,N'$-(thio)carbonylbisazoles interaction was studied for the evaluation of nucleoside-$5'$-phosphorazolide-$2',3'$-cyclo(thio)carbonate formation possibility by the semi-empirical method PM6 of SCIGRESS Modeling 3.0.0 software. Azole moiety involves imidazole fragment. It was shown that formation of nucleoside-$5'$-phosphorazolide-$2',3'$-cyclo(thio)carbonates is energetically less efficient than formation of nucleotide-$5'$-phosphorazolides.
Mots-clés : imidazole, $N,N'$-acylbisazoles
Keywords: nucleotide-$5'$-phosphates, interaction, nucleoside-$5'$-phosphorazolides, $2',3'$-cyclo(thio)carbonates, semi-empirical method PM6, thermodynamic parameters. 
@article{VSGU_2014_3_a15,
     author = {I. V. Lazareva and Z. P. Belousova and Yu. P. Zarubin and P. P. Purygin},
     title = {Theoretical study of nucleoside-$5'$-phosphorazolide-$2',3'$-cyclo(thio)\-carbonate formation possibility in reaction of nucleotides and $N,N'$-acylbisazoles by quantum-chemical methods},
     journal = {Vestnik Samarskogo universiteta. Estestvennonau\v{c}na\^a seri\^a},
     pages = {148--153},
     publisher = {mathdoc},
     number = {3},
     year = {2014},
     language = {ru},
     url = {http://geodesic.mathdoc.fr/item/VSGU_2014_3_a15/}
}
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I. V. Lazareva; Z. P. Belousova; Yu. P. Zarubin; P. P. Purygin. Theoretical study of nucleoside-$5'$-phosphorazolide-$2',3'$-cyclo(thio)\-carbonate formation possibility in reaction of nucleotides and $N,N'$-acylbisazoles by quantum-chemical methods. Vestnik Samarskogo universiteta. Estestvennonaučnaâ seriâ, no. 3 (2014), pp. 148-153. http://geodesic.mathdoc.fr/item/VSGU_2014_3_a15/