[Zurück]

I. Mitra, S. Mukherjee, V. Reddy, B. Misini, P. Das, S. Dasgupta, W. Linert, S. Moi:
""Synthesis, biological evaluation, substitution behaviour and DFT study of Pd(II) complexes incorporating benzimidazole derivative"";
New Journal of Chemistry, 42 (2018), S. 2574 - 2589.

To achieve potent yet specific antitum agents, a series of palladium(II) complexes (C1-C6) employing the carrier ligand 2-aminomethylbenzimidazole with DNA intercalating property and diverse ancillary groups (chloride, aqua, thiol) were synthesized and characterized. The kinetic parameters of the reactivity of the diaqua complex C2 towards selected sulphur-containing biomolecules were evaluated under pseudo-first order reaction conditions. Theoretical calculations such as NBO and TD-DFT were found to corroborate with spectroscopic results. Intercalative/groove binding nature of calf-thymus DNA (CT-DNA) interaction for the complexes was confirmed by various physico-chemical techniques and molecular docking. A strong association of the complexes with bovine serum albumin (BSA) via a static mechanism was demonstrated by absorption and emission measurements. The anti-proliferative effects of the complexes were tested against human breast tumor MDA-MB-231, human lung carcinoma A549 and human hepatocellular liver carcinoma HepG2. The complexes exhibited inhibitory effects greater than that exhibited by recognized drug cisplatin on the MDA-MB-231 cell line. Notably, the growth inhibition as well as oxidative stress elicited by the complexes in non-malignant cell lines L6 myotubes (rat myoblasts) and HEK-293 (human embryonic kidney cells) was much less than by cisplatin.

DFT-calculations, coordination chemistry, Pd-complexey

http://dx.doi.org/10.1039/c7nj05173e