ЦЕЛЕНАПРАВЛЕННЫЙ ПОИСК ВЕЩЕСТВ В РЯДУ ПРОИЗВОДНЫХ 3-АРИЛ(АРАЛКИЛ)КСАНТИНА, ОБЛАДАЮЩИХ АНТИРАДИКАЛЬНОЙ АКТИВНОСТЬЮ В ОТНОШЕНИИ СУПЕРОКСИД-РАДИКАЛА | Zendy

Volodymyr Ryzhenko | Zendy; О. А. Ryzhov | Zendy; S. V. Levich | Zendy; И. Ф. Беленичев | Zendy; К. V. Aleksandrova | Zendy

Open Access

ЦЕЛЕНАПРАВЛЕННЫЙ ПОИСК ВЕЩЕСТВ В РЯДУ ПРОИЗВОДНЫХ 3-АРИЛ(АРАЛКИЛ)КСАНТИНА, ОБЛАДАЮЩИХ АНТИРАДИКАЛЬНОЙ АКТИВНОСТЬЮ В ОТНОШЕНИИ СУПЕРОКСИД-РАДИКАЛА

Author(s) -

Volodymyr Ryzhenko,

О. А. Ryzhov,

S. V. Levich,

И. Ф. Беленичев,

К. V. Aleksandrova

Publication year - 2016

Publication title -

medical informatics and engineering

Language(s) - English

Resource type - Journals

eISSN - 1997-7468

pISSN - 1996-1960

DOI - 10.11603/mie.1996-1960.2016.1.5944

Subject(s) - atomic orbital , quantum chemical , molecular orbital , computational chemistry , chemistry , mathematics , physics , quantum mechanics , molecule , organic chemistry , electron

The aim of the research was to study the basic descriptors of frontier molecular orbitals of 3- aryl (aralkyl) xanthine using semi-empirical quantum- chemical methods and substantiate their impact on the manifestation of anti-radical activity. Comparison of received data and calculated descriptors values revealed linear dependence of anti-radical activity on the highest occupied and lowest unoccupied molecular orbitals energy values.

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