Analysis of influence of quantum chemical descriptors on no-scavenger properties among xanthine derivatives

Abstract

Objective: Accumulation of reactive oxygen species and NO derivatives in the cell exerts damaging effects on its constituents, such as carbohydrates, proteins, lipids, and nucleic acids.. The search for antioxidant compounds capable of interrupting the pathological biochemical processes at various steps of oxidative and nitrosative stress development, and thus exerting prophylactic and therapeutic effects, is a priority for medical and pharmaceutical sciences. In this article we investigated the dependence of NO-scavenger properties of 3-benzyl(4-methylphenyl)xanthine derivatives from energy descriptors.