THEORETICAL STUDY OF NUCLEOSIDE5´-PHOSPHORAZOLIDE-2´,3´-CYCLO(THIO)CARBONATE FORMATION POSSIBILITY IN REACTION OF NUCLEOTIDES AND N,N´-ACYLBISAZOLES BY QUANTUM-CHEMICAL METHODS


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Abstract

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 efficient than formation of nucleotide-5´-phosphorazolides.

About the authors

I.V. Lazareva

Samara State University

Author for correspondence.
Email: morenov.sv@ssau.ru

Z.P. Belousova

Samara State University

Email: morenov.sv@ssau.ru

Yu.P. Zarubin

Samara State University

Email: morenov.sv@ssau.ru

P.P. Purygin

Samara State University

Email: morenov.sv@ssau.ru

References


Copyright (c) 2017 И.В. Лазарева, З.П. Белоусова, Ю.П. Зарубин, П.П. Пурыгин

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