DFT study of the molecular and crystal structure and vibrational analysis of cisplatin.

DFT and periodic-DFT (PAW-PBE method, code VASP) calculations have been performed to study the structural and vibrational characteristics of cis-diamminedichloroplatinum(II) (cisplatin) at molecular and outside molecular level. To estimate the effect of the intermolecular interactions in crystal on the structural and vibrational properties of cisplatin, three theoretical models are considered in the present study: monomer (isolated molecule), hydrogen bonded dimer and periodic solid state structures. The work focused on the role of the theoretical models for correct modeling and prediction of geometrical and vibrational parameters of cisplatin.

Effect of light transition metal complexes of methanesulfonic acid hydrazide on the viability of yeast Saccharomyces cerevisiae.

The effect of methanesulfonic acid hydrazide (MSH) and its complexes [M(MSH)4Cl2] (M = Mn, Fe, Co, Ni) and [Zn(MSH)2Cl2] on culture growth suppression and viability (Colony Forming Units) of Saccharomyces cerevisiae has been studied. The highest culture growth suppression was exhibited by [Co(MSH)4Cl2], whereas the most cytotoxic appeared [Mn(MSH)4Cl2]. The changes in cell morphology were also traced by means of FACS analysis.

Cytotoxic activity of platinum(II) and palladium(II) complexes of N-3-pyridinylmethanesulfonamide: the influence of electroporation.

The series of complexes: cis-[Pd(PMSA)2X2], cis-[Pt(PMSA)2X2], trans-[Pt(PMSA)2I2] and [Pt(PMSA)4]Cl2 (PMSA = N-3-pyridinylmethanesulfonamide; X = Cl, Br, I), previously synthesized and characterized by us, as well as the free ligand PMSA, were tested for their cytotoxic activity without electroporation -- against murine leukemia F4N and human SKW-3 and MDA-MB-231 tumour cell lines -- and with electroporation -- against the latter two cell lines. The majority of the complexes exhibited cytotoxic effects (IC50 < 100 micromol/l) under the conditions of electroporation. Both cis- and trans-[Pt(PMSA)2I2] had pronounced cytotoxic effects (29-61 micromol/l against MDA-MB-231 cells).

Effect of platinum (II) complexes of 4-methoxy- and 4-chlorobenzoic acid hydrazides on Saccharomyces cerevisiae.

This study reports the anti-yeast effect of the 4-methoxybenzoic acid hydrazide (pmbah), 4-chlorobenzoic acid hydrazide (pcbah) and their Pt(II) complexes: cis- [PtL2X2] and cis- [PtL(NH3)Cl2] where L is either pcbah or pmbah and X is Cl, Br or I. MICs of the 4- substituted analogues (20,000-625 microM) are much lower than those of the previously reported benzoic acid hydrazide and 3-methoxybenzoic acid hydrazide. Complex formation results in significant increase of potency which may be due to a change in the mechanism of action, but the MIC (> 400-50 microM) and the IC50 (> 400-1 microM) values show that higher activity of the ligands in the free state does not result in enhanced complex activity.

Platinum(II) complexes of 4-methoxy- and 4-chlorobenzoic acid hydrazides. Synthesis, characterization, and cytotoxic effect.

The complexes [Pt(NH3)(pmbah)Cl2], [Pt(NH3)(pcbah)Cl2], [Pt(pmbah)2X2] and [Pt(pcbah)2X2] (pmbah = 4-methoxybenzoic acid hydrazide, pcbah = 4-chlorobenzoic acid hydrazide; X = Cl, Br, I) have been synthesized and characterized by elemental analysis, electric conductivity, 1H NMR, IR, and electronic spectra. A cis-square planar structure with hydrazide ligands coordinated via the NH2 groups has been proposed for these compounds. The complexes, but not the free ligands, have shown a strong growth inhibitory effect in Friend leukemia cells in vitro, most of which are more active than cisplatin.