| dc.description.abstract | The importance of organometallic complexes in
cancer biology has attracted attention in recent years. In
this paper, we look for the in vitro cytotoxic capability of
novel benzimidazole-based N-heterocyclic carbene (NHC)
precursor (1) and its Ag(I)-NHC complex (2). For this purpose,
these novel Ag(I)-NHC complex (2) was characterized
by spectroscopic techniques (1H, 13C{1H} nuclear magnetic
resonance (NMR), and Fourier-transform infrared spectroscopy
(FT-IR)). Then, in vitro cytotoxic activities of NHC
precursor (1) and Ag(I)-NHC complex (2) were investigated
against MCF-7, MDA-MB-231 human breast, DU-145 prostate
cancer cells, and L-929 healthy cells using MTT assay
for 24, 48, and 72 h incubation times. Ag(I)-NHC complex
(2) showed promising in vitro cytotoxic activity against all
cell lines for three incubation times, with IC50 values lower
than 5 μM. It was also determined that (NHC) precursor (1)
were lower in vitro cytotoxic activity than Ag(I)-NHC complex
(2) against all cell lines. Selectivity indexes (SIs) of
Ag(I)-NHC complex (2) against cancer cells were found
higher than 2 for 24 and 48 h incubation time. Besides, the
electronic structure and spectroscopic data of the newly
synthesized precursor and its Ag-complex have been supported
by density functional theory (DFT) calculations and
molecular docking analysis. After, the anticancer activity
of these compounds has been discussed considering the
results of the frontier molecular orbital analysis. We hope
that the obtained results from the experiments and
computational tools will bring a new perspective to cancer
research in terms of supported by quantum chemical
calculations. | tr |
