TY - JOUR
T1 - An oxalate-bridged oxidovanadium(iv) binuclear complex that improves the in vitro cell uptake of a fluorescent glucose analog
AU - Baptistella, Gabriel B.
AU - Manica, Graciele C. M.
AU - de Souza, Susan W.
AU - Santana, Francielli S.
AU - Fachini, Lucas G.
AU - Hughes, David L.
AU - de Sá, Eduardo L.
AU - Picheth, Geraldo
AU - Soares, Jaísa F.
AU - Rego, Fabiane G. M.
AU - Nunes, Giovana G.
PY - 2021/4/1
Y1 - 2021/4/1
N2 - The centrosymmetric oxidovanadium(IV) complex (Et
3NH)
2[{VO(OH
2)(ox)}
2(μ–ox)] (I), where ox
2− = oxalate, was synthesized and characterized by X-ray diffraction (single-crystal and powder, PXRD), thermogravimetric (TGA), magnetic susceptibility (at room temperature) and spectroscopic analyses (infrared, Raman and electron paramagnetic resonance, EPR, spectroscopies). In the solid state, each vanadium center is coordinated by the oxygen atoms of a bis-bidentate oxalate bridging ligand, a terminal oxalate, an oxo group and one water molecule. The electronic structure of the binuclear complex was investigated by density functional theory (DFT) calculations, both in vacuum and in a simulated aqueous environment, employing the ωB97XD functional and the def2TZVP basis set. The cytotoxicity of I was evaluated in vitro in the human hepatocellular carcinoma cell line HepG2, giving an IC
50 value of 15.67 µmol L
−1 after incubation for 24 h. The EPR analysis of I in aqueous solution suggested the maintenance of the binuclear structure, while in the hyperglycemic medium DMEM the complex suffers dissociation to give a mononuclear oxidovanadium(IV) species. HepG2 cell treatment with 0.10 and 0.50 µmol L
−1 of I in DMEM increased 2-NBDG (2-[N-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)amino]-2-deoxy-D-glucose) uptake significantly (up to 91% as compared to HepG2 in hyperglycemic condition, 59%). These results indicate a promising activity of I to be investigated further in additional antidiabetic studies.
AB - The centrosymmetric oxidovanadium(IV) complex (Et
3NH)
2[{VO(OH
2)(ox)}
2(μ–ox)] (I), where ox
2− = oxalate, was synthesized and characterized by X-ray diffraction (single-crystal and powder, PXRD), thermogravimetric (TGA), magnetic susceptibility (at room temperature) and spectroscopic analyses (infrared, Raman and electron paramagnetic resonance, EPR, spectroscopies). In the solid state, each vanadium center is coordinated by the oxygen atoms of a bis-bidentate oxalate bridging ligand, a terminal oxalate, an oxo group and one water molecule. The electronic structure of the binuclear complex was investigated by density functional theory (DFT) calculations, both in vacuum and in a simulated aqueous environment, employing the ωB97XD functional and the def2TZVP basis set. The cytotoxicity of I was evaluated in vitro in the human hepatocellular carcinoma cell line HepG2, giving an IC
50 value of 15.67 µmol L
−1 after incubation for 24 h. The EPR analysis of I in aqueous solution suggested the maintenance of the binuclear structure, while in the hyperglycemic medium DMEM the complex suffers dissociation to give a mononuclear oxidovanadium(IV) species. HepG2 cell treatment with 0.10 and 0.50 µmol L
−1 of I in DMEM increased 2-NBDG (2-[N-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)amino]-2-deoxy-D-glucose) uptake significantly (up to 91% as compared to HepG2 in hyperglycemic condition, 59%). These results indicate a promising activity of I to be investigated further in additional antidiabetic studies.
KW - 2-NBDG uptake
KW - Crystal structure analysis
KW - HepG2 cells
KW - Oxalate
KW - Oxidovanadium(IV)
UR - http://www.scopus.com/inward/record.url?scp=85101003617&partnerID=8YFLogxK
U2 - 10.1016/j.poly.2021.115071
DO - 10.1016/j.poly.2021.115071
M3 - Article
SN - 0277-5387
VL - 198
JO - Polyhedron
JF - Polyhedron
M1 - 115071
ER -