Global structure-activity analysis in drug development illustrated for active Cu/Zn superoxide dismutase-mimics

Abstract

The analysis of the spectroscopic and electrochemical properties of all reported classes of Cu/Zn superoxide dismutase mimics (SODm) makes it possible to distinguish the geometric specificity of highly active compounds. A linear relationship with EPR parameters characterises the geometry of the first coordination sphere around the metal, which favours catalytic activity. Combined with the appropriate redox potential values, the model of geometric conformation of highly active Cu/Zn SODm serves to streamline further synthetic efforts. This global analysis represents a new approach to treat all classes of compounds intended for a specific biological activity in order to obtain general features that could orient the process of drug discovery