Synthesis, crystal structure, cytotoxic and superoxide dismutase activities of copper(II) complexes of N-(4,5-dihydroimidazol-2-yl)azoles.

A series of four Cu(II) dichlorides with N-(4,5-dihydro-1H-imidazol-2-yl)azoles as chelating ligands has been prepared and characterized by IR, UV-vis spectroscopy, and X-ray crystallography. The complex [2-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzotriazole]-dichlorocopper(II) showed very potent SOD activity in vitro with a superoxide scavenging IC(50) of 0.06 microM, comparable to those described in the literature for best low molecular weight SOD mimics.

Synthesis, crystal structure and biological activities of copper(II) complexes with chelating bidentate 2-substituted benzimidazole ligands.

A series of Cu(II) coordination compounds with benzimidazole-derived bidentate chelating ligands have been prepared and characterized by X-ray crystallography. The 2-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazole CuCl2 complex 8 showed very potent superoxide dismutase (Cu,Zn-SOD) activity in vitro with IC50 of 0.09 microM, comparable to those described in the literature for best low molecular weight CuZnSOD mimics.

Synthesis and biological activity of new 2-amino-8-chloro-5,5-dioxo[1,2,4]triazolo[2,3-b][1,4,2]benzodithiazines.

Two series of 1-(6-chloro-1,1-dioxo-1,4,2-benzodithiazin-3-yl)-4-arylsemicarbazides 6-17 and 2-arylamino-8-chloro-5,5-dioxo[1,2,4]triazolo[2,3-b][1,4,2]benzodithiazines 18-26 were prepared in order to evaluate their biological activity. Compounds 6 and 18-26 were tested for their in vitro cytotoxic potency against 12 human cancer cell lines. The compounds 6 and 19 were inactive, whereas triazolobenzodithiazines 18, 20-26 possess tumor growth inhibitory properties.

Anion-pi interactions in cyanuric acids: a combined crystallographic and computational study.

Several structures of pi complexes of isocyanuric acid and of several thio derivatives with anions have been computed by using high level ab initio calculations. The nature of the complexes has been studied by means of the method of molecular interaction potential with polarization (MIPp) and Bader's theory of atoms-in-molecules. These molecules form favorable complexes with anions and can be used as binding units for building receptors for the molecular recognition of anions.