Jump to main content
Jump to site search
PLANNED MAINTENANCE Close the message box

Scheduled maintenance upgrade on Thursday 4th of May 2017 from 8.00am to 9.00am (BST).

During this time our websites will be offline temporarily. If you have any questions please use the feedback button on this page. We apologise for any inconvenience this might cause and thank you for your patience.


Issue 11, 2016
Previous Article Next Article

A water-soluble Pd(II) complex with a terpyridine ligand: experimental and molecular modeling studies of the interaction with DNA and BSA; and in vitro cytotoxicity investigations against five human cancer cell lines

Author affiliations

Abstract

A new Pd(II) complex, [Pd(4-OHPh-tpy)Cl]Cl, with a ligand that is a terpyridine derivative, (4′-(4-hydroxyphenyl)-2,2′,6′,2′′-terpyridine (4-OHPh-tpy)), was prepared and fully characterized. The single crystal structures of 4-OHPh-tpy and its Pd(II) complex were determined by X-ray crystallography. The in vitro studies (UV-Vis spectroscopy, circular dichroism (CD), rheometry, and gel electrophoresis) show that the Pd(II) complex interacts with calf-thymus DNA (CT-DNA) via a combination of covalent, intercalation, and hydrogen bonding interactions, whereas the free 4-OHPh-tpy ligand interacts with DNA mainly through intercalation. The Pd(II) complex cleaves the supercoiled double-stranded DNA under physiological conditions without the need to add an external reductant. The microenvironment and the secondary structure of BSA were also changed in the presence of both the free ligand and the Pd(II) complex. The Pd(II) complex was remarkable in exhibiting cleavage of the BSA at micromolar concentrations and short incubation times at physiological pH and temperature. The anti-cancer effects of the free ligand and the Pd(II) complex were tested in vitro against five human tumor cell lines, including the human breast cancer cell line (MCF-7), lung adenocarcinoma cells (A-549), an erythroleukemic cell line (K562), a colorectal adenocarcinoma cell line (HT-29), and hepatocellular carcinoma (Hep-G2) cells. The Pd(II) complex showed the IC50 values less than those of cisplatin against the MCF-7, A-549, K562, and HT-29 cancer cell lines. Finally, the binding of the Pd(II) complex and 4-OHPh-tpy to BSA and DNA was modeled by molecular docking and molecular dynamic simulation methods.

Graphical abstract: A water-soluble Pd(ii) complex with a terpyridine ligand: experimental and molecular modeling studies of the interaction with DNA and BSA; and in vitro cytotoxicity investigations against five human cancer cell lines

Back to tab navigation
Please wait while Download options loads

Supplementary files

Publication details

The article was received on 15 Jun 2016, accepted on 23 Aug 2016 and first published on 25 Aug 2016


Article type: Paper
DOI: 10.1039/C6NJ01880G
Citation: New J. Chem., 2016,40, 9081-9097
  •   Request permissions

    A water-soluble Pd(II) complex with a terpyridine ligand: experimental and molecular modeling studies of the interaction with DNA and BSA; and in vitro cytotoxicity investigations against five human cancer cell lines

    F. Darabi, H. Hadadzadeh, J. Simpson and A. Shahpiri, New J. Chem., 2016, 40, 9081
    DOI: 10.1039/C6NJ01880G

Search articles by author