Mono-nuclear cis-Pd(II) chloride complex of the thio-nucleotide analogue 5-methyl-thiouracil and its biological activity

被引：8

作者：

Banti, C. N. ^{[1
]}

Charalampou, D. C. ^{[1
]}

Kourkoumelis, N. ^{[2
]}

Owczarzak, A. M. ^{[3
]}

Kubicki, M. ^{[3
]}

Hadjikakou, S. K. ^{[1
]}

Hadjiliadis, N. ^{[1
]}

机构：

[1] Univ Ioannina, Dept Chem, Sect Inorgan & Analyt Chem, GR-45110 Ioannina, Greece

[2] Univ Ioannina, Sch Med, Med Phys Lab, GR-45110 Ioannina, Greece

[3] Adam Mickiewicz Univ, Fac Chem, PL-61614 Poznan, Poland

来源：

POLYHEDRON | 2015年 / 87卷

关键词：

Psllsdium metallotherapeutics; Cell studies; CT-DNA and Lipoxygenase; Molecular modeling; PCA; PALLADIUM(II) COMPLEXES; ORGANOTIN(IV) COMPLEXES; 3-DIMENSIONAL STRUCTURE; DRUG DISCOVERY; DNA; COMBINATORIAL; LIPOXYGENASE;

D O I：

10.1016/j.poly.2014.11.027

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The new mixed ligand palladium(II) complex of formula cis-Cl-[PdCl2(TPP)(MTUC)]center dot 3((HO)-O-2) (1) was obtained by reacting 6-methyl-thiouracil (MTUC) with triphenylphosphine (TPP). The complex was characterized by vibrational spectroscopy (FT-IR), H-1 NMR, UV-Vis spectroscopic techniques and its structure was confirmed by X-ray crystallography. Mixed ligand complexes of palladium(II) dichloride with thiones and phosphines are very rare in the literature. Compound 1 is the fourth of this kind of compounds which has also been examined for its biological effects. Complex 1 was evaluated for its in vitro cytotoxic activity (cell viability) against human cancer cell lines: MCF-7 (breast) and HeLa (cervical) with tryban blue assay. The results showed that 1 mediates a mild cytotoxic response to the tested cancer cell lines. The binding affinity of 1 towards the intracellular molecules DNA and lipoxygenase (LOX) was studied for the evaluation of the mechanism of its cytotoxicity. Partial least squares (PLS) regression analysis was carried out to correlate the variation of the IC50 values (Y-variables) with the variations of energetic parameters (X-variables), calculated from molecular docking calculation for 1 and related palladium(II) complexes reported. (C) 2014 Elsevier Ltd. All rights reserved.

引用

页码：251 / 258

页数：8