Целенаправленный Поиск Веществ В Ряду Производных 3-Арил(аралкил)ксантина, Обладающих Антирадикальной Активностью В Отношении Супероксид-Радикала

Abstract

<p>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.</p><p>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.</p>