DFT study of the structural and electronic properties of selected organogold (III) compounds with characteristic anticancer activity
U Ndagi, MM Lawal, ME Soliman - Russian Journal of Physical Chemistry …, 2019 - Springer
The limitless exploration for the discovery of potential drug candidates for cancer treatment
has become a worldwide research priority. More importantly is the chemistry of gold (III) …
has become a worldwide research priority. More importantly is the chemistry of gold (III) …
New Au (III)-and Fe (III)-based complexes of bio-pharmacological interest: DFT and in silico studies
Y Arbia, S Abtouche, M Dahmane… - Theoretical Chemistry …, 2023 - Springer
Many researchers have tried to overcome the limitations of clinical Cis-platin, which has led
to several generations of platinum-based drugs that are derived from the Cis-platin matrix …
to several generations of platinum-based drugs that are derived from the Cis-platin matrix …
[HTML][HTML] Gold (III) complexes: An overview on their kinetics, interactions with DNA/BSA, cytotoxic activity, and computational calculations
S Radisavljević, B Petrović - Frontiers in chemistry, 2020 - frontiersin.org
In the last few years, metallodrugs play a key role in the development of medicinal chemistry.
The choice of metal ion, its oxidation state and stability, and the choice of inert and labile …
The choice of metal ion, its oxidation state and stability, and the choice of inert and labile …
Density functional theory study of gold (III)-dithiocarbamate complexes with characteristic anticancer potentials
The application of gold as drug candidate dated back to 2500 BC and its relevance in
medicine became more appealing following 1985 FDA approval of ingested Auranofin for …
medicine became more appealing following 1985 FDA approval of ingested Auranofin for …
Potential antitumor gold drugs: DFT and XANES studies of local atomic and electronic structure
MA Soldatov, I Ascone… - Journal of Physics …, 2009 - iopscience.iop.org
Geometry structure optimization of the potential antitumor agent Au (bipy)(OH) 2 was carried
out by means of density functional theory simulations. The experimental Au L 3-edge X-ray …
out by means of density functional theory simulations. The experimental Au L 3-edge X-ray …
Nature of metal–drug bond in some antitumor active complexes of coinage metal ions
B Naderizadeh, M Bayat - ACS omega, 2020 - ACS Publications
N-Heterocyclic carbene and phosphine can be labeled as solid σ-donor ligands and can
contribute to stable complexes. In addition, the constructed complex can accommodate a …
contribute to stable complexes. In addition, the constructed complex can accommodate a …
[HTML][HTML] Computational studies of Au (I) and Au (III) anticancer metallodrugs: A survey
Owing to the growing hardware capabilities and the enhancing efficacy of computational
methodologies, computational chemistry approaches have constantly become more …
methodologies, computational chemistry approaches have constantly become more …
The π‐Back‐Bonding Modulation and Its Impact in the Electronic Properties of CuII Antineoplastic Compounds: An Experimental and Theoretical Study
JC García‐Ramos, R Galindo‐Murillo… - … A European Journal, 2014 - Wiley Online Library
A complete study of the electronic density distribution in antineoplastic mixed chelate
complexes of the type [Cu (N N)(glycinate) H2O] NO3 (N N= 2, 2′‐bipyridine (bpy)(1), 4 …
complexes of the type [Cu (N N)(glycinate) H2O] NO3 (N N= 2, 2′‐bipyridine (bpy)(1), 4 …
Nature of metal–NHC bonds in some potential anticancer [(NHC (R)) 2→ M]+(M= CuI, AgI, AuI, R= n-propyl, n-butyl, n-pentyl, n-hexyl, n-heptyl, n-octyl, n-nonyl, n …
B Naderizadeh, M Bayat - Mendeleev Communications, 2021 - Elsevier
A theoretical study of the structures and nature of the M← C bonds in NHC Cu I, Ag I and Au
I cation complexes with two N, N′-dialkylbenzimidazolin-2-ylidene ligands was performed …
I cation complexes with two N, N′-dialkylbenzimidazolin-2-ylidene ligands was performed …
Synthesis, characterization, DFT calculations and application of some metal complexes derived from 2-(((2-(dimethylamino) ethyl) amino)(4-nitrophenyl) methyl)-3 …
P Nariya, S Thakore - Inorganic Chemistry Communications, 2023 - Elsevier
Abstract Vanadium, Ruthenium and Nickel complexes were synthesized using tridentate
(ONN) donor mannich base ligand derived from bioactive molecule lawsone. The proposed …
(ONN) donor mannich base ligand derived from bioactive molecule lawsone. The proposed …