DNA-binding, molecular docking studies and biological activity studies of ruthenium(ii) polypyridyl complexes

Abstract

Anticancer properties of chemically synthesized compounds have been evaluated for efficacy and selectivity. A new ligand PTCP 3,7, phenanthrene) and its three new ruthenium(II) polypyridyl complexes [Ru(N-N) The relationship between anti-proliferation and molecular interaction mechanism of the complexes was also elucidated. The apoptosis was assayed by flow cytometry. The changes of mitochondrial membrane potential and the ROS levels were measured by flow cytometry. The cell invasion, cell cycle arrest and the expression of Bcl-2 family proteins were studied in detail. N-Acetylcysteine (NAC) was used in several experiments to testify the effect of the complexes on apoptosis. The results demonstrate that the complexes induce apoptosis in SGC-7901 cells through a ROS-mediated mitochondrial dysfunction pathway, which was accompanied by the regulation of Bcl-2 family proteins. In addition, the interaction of the complexes with calf thymus DNA (CT-DNA) shows that the complexes interact with DNA through partial intercalation mode.

(Pyrazolyl)pyridine ruthenium(III) complexes: Synthesis, kinetics of substitution reactions with thiourea and biological studies

“…The docking results revealed that complexes 1-3 form stable complexes with DNA binding sites through non-covalent interactions [22]. The negative binding energies suggest that the complexes interact in a parallel manner with respect to the minor/major grooves of the DNA backbone.…”

DNA photocleavage, topoisomerase I inhibition, and cytotoxicities of two ruthenium complexes containing asymmetry ligand

“…For complex 1, the poor activity may be due to the low lipophilicity. In addition, complex 2 displays lower activity against Eca-109 and A549 cells compared to cisplatin (14.7 ± 0.9 μM (Shen et al, 2017) and 7.0 ± 0.8 μM (Zhang et al, 2016)), and it was more active than some ruthenium complexes, such as [Ru(phen) 2 (mnbibpy)] 2+ (mnbibpy = 4-methyl-4ʹ-(5-nitrobenzimidazol-2-yl)-bipyridine) (47.54 ± 3.38 μM against Eca-109 cells and >100 μM against A549 cells) (Liu, Huang, Tang, Shen, & Lu, 2018).…”

“…S1 and S2). Although imidazole proton is not observed for ligand pdpi, this can be explained by the quick exchanges between two imidazole nitrogen atoms, which was observed for many compounds with imidazole ring (Fan et al, 2014;Li et al, 2017;Tang et al, 2017;. The identities of complexes 1 and 2 were further determined by ESI-MS spectra with two main peak signals for complex, [M-…”

“…Recent reports have shown that many ruthenium complexes exhibit antibacterial and antitumor activities since they can interact with DNA and affect the cellular processes in living system (Fan et al, 2014;Fernández, Melchart, Habtemariam, Parsons, & Sadler, 2004;Laurent, Batchelor, & Dyson, 2018;Levina, Mitra, & Lay, 2009;Martnez & Chacn-Garca, 2005;Tang et al, 2017;. Further studies indicated that ruthenium complexes have great potential in the development of potent biological and medical applications, such as DNA fluorescent probes, photodynamic therapy (PDT) agents, antimicrobial drugs, and anticancer drugs (Du et al, 2019;Fan et al, 2014;Fernández et al, 2004;Hartshorn & Barton, 1992;Laurent et al, 2018;Levina et al, 2009;Li et al, 2017;Liao, Chen, Ji, & Chao, 2012;Martnez & Chacn-Garca, 2005;Piraux et al, 2017;Saadallah et al, 2017;Shi et al, 2012;Tang et al, 2017;Xu et al, 2010;Yao et al, 2012;. Recently, we found that [Ru(bpy) 2 (mnpip)] 2+ can act as G-quadruplex selective fluorescent probe and display 'off-on' effect on emission behavior after incubation with G-quadruplex .…”

In vitro biomolecular interaction studies and cytotoxic activities of copper(II) and zinc(II) complexes bearing ONS donor thiosemicarbazones

“…The crystal structure of the B-DNA dodecamer d(CGCAAATTTCGC) 2 (PDB ID: 1BNA) was downloaded from the protein data bank. [18,19] Outputs of the docked poses were exported to Discovery Studio for visual inspection of the binding modes and for the probable polar and hydrophobic interactions of the complexes with DNA. The results were visualized using VMD software.…”