Experimental and computational studies of two binuclear Co (II) and Ni (II) bis (salamo)‐like complexes

YJ Yan, YT La, MX Du, L Xu… - Applied Organometallic …, 2023 - Wiley Online Library
Acetate‐bridged binuclear Co (II) and Ni (II) complexes,[Co2 (L)(μ‐OAc)(EtOH)](1) and [Ni2
(L)(μ‐OAc)(EtOH)](2) were synthesized via the reaction of a new bis (salamo)‐like ligand …

The current status in computational exploration of Pt (iv) prodrug activation by reduction

F Ponte, S Scoditti, G Mazzone, E Sicilia - … Chemistry Chemical Physics, 2023 - pubs.rsc.org
Octahedral PtIV complexes are considered highly promising candidates for overcoming
some shortcomings of clinically approved PtII drugs. PtIV compounds, owing to their inertia …

Antitumor studies evaluation of triphenylphosphine ruthenium complexes with 5, 7-dihalo-substituted-8-quinolinoline targeting mitophagy pathways

ZF Wang, XQ Huang, RC Wu, Y Xiao… - Journal of Inorganic …, 2023 - Elsevier
Both ruthenium-containing complexes and 8-quinolinoline compounds have emerged as a
potential novel agent for malignant tumor therapy. Here, three triphenylphosphine ruthenium …

Computational analysis of the behavior of BODIPY decorated monofunctional platinum (II) complexes in the dark and under light irradiation

P Barretta, F Ponte, S Scoditti, V Vigna… - The Journal of …, 2022 - ACS Publications
Dual-action drugs are occupying an important place in the scientific landscape of cancer
research owing to the possibility to combine different therapeutic strategies into a single …

Synthesis and anticancer mechanisms of four novel platinum (ii) 4′-substituted-2, 2′: 6′, 2′′-terpyridine complexes

CJ Liang, RC Wu, XQ Huang, QP Qin, H Liang… - Dalton …, 2024 - pubs.rsc.org
Mitophagy, a selective autophagic process, has emerged as a pathway involved in
degrading dysfunctional mitochondria. Herein, new platinum (II)-based chemotherapeutics …

Anticancer activity, reduction mechanism and G-quadruplex DNA binding of a redox-activated platinum (IV)–salphen complex

V Vigna, S Scoditti, A Spinello, G Mazzone… - International Journal of …, 2022 - mdpi.com
Aiming at reducing the unselective cytotoxicity of Pt (II) chemotherapeutics, a great deal of
effort has been concentrated into the design of metal-containing drugs with different …

Ruthenium complexes bearing nile red chromophore and one of its derivative: Theoretical evaluation of PDT‐related properties

P Barretta, S Scoditti, D Belletto, F Ponte… - Journal of …, 2024 - Wiley Online Library
The outcomes of DFT‐based calculations are here reported to assess the applicability of two
synthesized polypyridyl Ru (II) complexes, bearing ethynyl nile red (NR) on a bpy ligand …

Computational Assessment of a Dual-Action Ru (II)-Based Complex: Photosensitizer in Photodynamic Therapy and Intercalating Agent for Inducing DNA Damage

F Ponte, S Scoditti, P Barretta, G Mazzone - Inorganic Chemistry, 2023 - ACS Publications
A combined quantum-mechanical and classical molecular dynamics study of a recent Ru (II)
complex with potential dual anticancer action is reported here. The main basis for the …

Computational Assessment of Novel Ruthenium Phenoxazine‐Based Complexes as Photosensitizers in Photodynamic Therapy

P Barretta, F Ponte, S Scoditti… - European Journal of …, 2024 - Wiley Online Library
A computational examination of two new polypyridyl ruthenium complexes, containing
meldola blue (MDB) and nile blue (NB) chromophores, is here reported in order to assess …

Predicting 195Pt NMR Chemical Shifts in Water‐Soluble Inorganic/Organometallic Complexes with a Fast and Simple Protocol Combining Semiempirical Modeling …

EE Ondar, MV Polynski, VP Ananikov - ChemPhysChem, 2023 - Wiley Online Library
Water‐soluble Pt complexes are the key components in medicinal chemistry and catalysis.
The well‐known cisplatin family of anticancer drugs and industrial hydrosylilation catalysts …