The synthesis and
characterization of one oxidoethoxidovanadium(V)
[VVO(L1)(OEt)] (1) and two nonoxidovanadium(IV)
complexes, [VIV(L2–3)2] (2 and 3), with aroylhydrazone ligands incorporating
naphthalene moieties, are reported. The synthesized oxido and nonoxido
vanadium complexes are characterized by various physicochemical techniques,
and their molecular structures are solved by single crystal X-ray
diffraction (SC-XRD). This revealed that in 1 the geometry
around the vanadium atom corresponds to a distorted square pyramid,
with a O4N coordination sphere, whereas that of the two
nonoxido VIV complexes 2 and 3 corresponds to a distorted trigonal prismatic arrangement with a
O4N2 coordination sphere around each “bare”
vanadium center. In aqueous solution, the VVO moiety of 1 undergoes a change to VVO2 species, yielding [VVO2(L1)]− (1′), while the nonoxido VIV-compounds 2 and 3 are partly converted
into their corresponding VIVO complexes, [VIVO(L2–3)(H2O)] (2′ and 3′). Interaction of these VVO2, VIVO, and VIV systems with two model
proteins, ubiquitin (Ub) and lysozyme (Lyz), is investigated through
docking approaches, which suggest the potential binding sites: the
interaction is covalent for species 2′ and 3′, with the binding to Glu16, Glu18, and Asp21 for
Ub, and His15 for Lyz, and it is noncovalent for species 1′, 2, and 3, with the surface residues of
the proteins. The ligand precursors and complexes are also evaluated
for their in vitro antiproliferative activity against
ovarian (A2780) and prostate (PC3) human cancer cells and in normal
fibroblasts (V79) to check the selectivity of the compounds for cancer
cells.