Schiff base ligand (E)-4-[(hydroxyl phenylimino)methyl]benzene-1, 2-diol (H3L) was prepared from the condensation reaction of Protochatechu aldehyde (3, 4-dihydroxybenzaldhyde) with 2-amino phenol. From the direct reaction of the ligand (H3L) with Co(II), Ni(II) and Cu(II) chlorides and Fe(III) and Zn(II) nitrates in 2M:1L molar ratio, the five new neutral complexes were prepared. The character...

Five dinuclear platinum(II) complexes with a novel chiral ligand, 2-(((1R,2R)-2-aminocyclohexylamino)methyl)phenol (HL), were designed, prepared and spectrally characterized. In vitro cytotoxicity of all the resulting platinum(II) compounds was evaluated against human HEPG-2, A549 and HCT-116 cell lines, respectively. Results indicated that all compounds showed positive biological activity. Par...

We tested different approaches to including the effect of binding-site water molecules for ligand-binding affinities within the MM/GBSA approach (molecular mechanics combined with generalised Born and surface-area solvation). As a test case, we studied the binding of nine phenol analogues to ferritin. The effect of water molecules mediating the interaction between the receptor and the ligand ca...

A new Schiff base has been synthesized from 3-(3-nitrophenyl)-1-phenyl-1H-pyrazole-4carbaldehyde and O-amino phenol. Metal complexes of the Schiff base have been synthesized from acetate salt of Cu (II), Co (II) and Ni (II) metal in the alcoholic medium. The newly prepared Schiff base ligand and metal complexes have been characterized by various physicochemical techniques such as Elemental anal...

The title compound, [Eu(C(12)H(9.33)N(2)O)(3)]NO(3), was obtained by the reaction of Eu(NO(3))·3H(2)O and the Schiff base ligand 2-(2-pyridylimino-meth-yl)phenol. The Eu atom is located on a threefold rotation axis and is nine-coordinated by three tridentate Schiff base ligands in a distorted tricapped trigonal-prismatic geometry. The O atom at the phenol hydr-oxy group is partially deprotonate...

The title compound, [Co(C8H8BrN4O)2]NO3·C3H7NO, is formed of discrete [CoL 2](+) cations, nitrate anions and di-methyl-formamide (DMF) mol-ecules of crystallization. The cation has no crystallographically imposed symmetry. The ligand mol-ecules are deprotonated at the phenol O atom and octa-hedrally coordinate the Co(III) atoms through the azomethine N and phenolate O atoms in a mer configurati...

The title compound, [Cu(2)(C(14)H(13)N(2)O)(2)(N(3))(2)], was synthesized by the reaction of Cu(NO(3))(2)·3H(2)O with the Schiff base 2-[1-(2-pyridylmethyl-imino)eth-yl]phenol (HL) in methanol-water solution, adding NaN(3) as the bridging ligand. The asymmetric unit contains one half-mol-ecule, the other half being generated by the inversion center. Each Cu(II) atom shows a slightly distorted t...

The title complex, [Ni(C(13)H(20)N(2)O(2))(2)](NCS)(2), consists of a centrosymmetric mononuclear four-coordinate nickel(II) complex cation and two thio-cyanate anions. The Ni atom is located on an inversion center and is coordinated by two phenol O atoms and two imine N atoms from two equivalent Schiff base ligands, in a square-planar geometry. In the crystal structure, the amino H atoms are i...