Open AccessTHEORETICAL STUDY OF NUCLEOSIDE5´-PHOSPHORAZOLIDE-2´,3´-CYCLO(THIO)CARBONATE FORMATION POSSIBILITY IN REACTION OF NUCLEOTIDES AND N,N´-ACYLBISAZOLES BY QUANTUM-CHEMICAL METHODS
Author(s) -
И.В. Лазарева,
Зоя Петровна Белоусова,
Yu. P. Zarubin,
П. П. Пурыгин
Publication year - 2014
Publication title -
vestnik samarskogo universiteta. estestvennonaučnaâ seriâ
Language(s) - English
Resource type - Journals
eISSN - 2712-8954
pISSN - 2541-7525
DOI - 10.18287/2541-7525-2014-20-3-148-153
Subject(s) - thio , nucleotide , chemistry , moiety , nucleoside , imidazole , stereochemistry , carbonate , computational chemistry , organic chemistry , biochemistry , gene
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´-phosphorazolide2´,3´-cyclo(thio)carbonates is energetically less ecient than formation of nucleotide-5´-phosphorazolides.