Application of modeling calculations in the description of metal ion distribution of bioactive compounds in biological systems

The paper deals with the application of thermodynamic description of metal-ligand interactions in biological systems, when the determination of the actual chemical form of a metal ion or a metal compound with potential biological activity in biological fluids or tissues can help in the identification of the relevant active form of the metallic drug or in the exploration of its pharmacokinetics. Two groups of metal compounds are discussed in the paper: the fate of vanadium and zinc containing antidiabetics during their transport in the blood stream, and the application of metal ion chelators to control synaptic Cu(II) and Zn(II) level in order to hinder oligomerisation of beta-amyloids in Alzheimer's disease. (C) 2011 Elsevier B.V. All rights reserved.