Abstract
In this manuscript, we report the synthesis of dioxidovanadium(V) complexes, their identification by spectroscopic and electrochemical methods, the structural characterization by X-ray diffraction and density functional theory calculations, as well as their in vitro inhibitory activity of protein tyrosine phosphatases (PTPs). The structural analysis revealed the formation of dianionic complexes with [VO2]2+ species in compounds 1 and 2. The molecular frontier orbitals of dioxidovanadium(V) complexes are characterized and compared. Furthermore, the enzymatic experiments revealed that complex 1 inhibited at least two of the PTPs evaluated with potent activity (IC50=1.5μM).
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