Synthesis, structural, molecular docking, DFT, vibrational spectroscopy, HOMO-LUMO, MEP exploration, antibacterial and antifungal activity of new Fe (III), Co (II) and …

A Abdou - Journal of Molecular Structure, 2022 - Elsevier
Abstract Three new FeLphen, CoLphen and NiLphen hetero-ligand were synthesized,
characterized and theoretically investigated. The new complexes were based on …

Synthesis, characterization, DFT study, and antibacterial activity of a coordination complex of Cu (II) with 1, 10-phenanthroline and l-methionine ligands

JAO Rodrigues, AU Torres, NAB de Sousa… - Journal of Molecular …, 2023 - Elsevier
A crystal of the coordination complex of Cu (II) with 1, 10-phenanthroline (phen) and l-
methionine anion ([Cu (Phen)(L-methionine) H 2 O] Cl· 1· 5H 2 O) was synthesized and …

Antioxidant and anticancer potential of the new Cu (II) complexes bearing imine-phenolate ligands with pendant amine N-donor groups

AC Pinheiro, IJ Nunes, WV Ferreira, PP Tomasini… - Pharmaceutics, 2023 - mdpi.com
Cu (II) complexes bearing NNO-donor Schiff base ligands (2a, b) have been synthesized
and characterized. The single crystal X-ray analysis of the 2a complex revealed that a …

Metallodrugs: Synthesis, mechanism of action and nanoencapsulation for targeted chemotherapy

JAO Rodrigues, NS Kiran, A Chatterjee… - Biochemical …, 2024 - Elsevier
As a multifactorial and heterogeneous disease, cancer has a high mortality rate, and the
search for more effective treatments is an enormous challenge. Metal coordination …

[HTML][HTML] Antitumor neodymium (III) complex with 1, 10-phenanthroline and nitrate ligands: A comprehensive experimental-theoretical study, in silico pharmacokinetic …

JG de Oliveira Neto, JR Viana, KR Abreu… - Journal of Molecular …, 2025 - Elsevier
Here we report the crystallization of the tris (nitrate-O, O')-bis (1, 10-phenanthroline-N, N')-
neodymium (III) complex by the slow solvent evaporation method. Structural, electronic …

[HTML][HTML] Dichloro-bis (theophylline)-copper (II) complex: Characterization of the physicochemical, computational pharmacokinetics, molecular docking, and cytotoxicity …

JG de Oliveira Neto, JR Viana, MVS Júnior… - Polyhedron, 2024 - Elsevier
Abstract A dichloro-bis (theophylline)-copper (II) complex, named [Cu (theo) 2 Cl 2], was
synthesized, with the aim to characterize its physicochemical and pharmacological …

[HTML][HTML] Antibacterial [Zn (nicotinamide) 2Cl2] complex for the treatment of skin conditions: An experimental-theoretical study of physicochemical, microbiological and …

JG de Oliveira Neto, JAO Rodrigues, JR Viana… - Journal of Molecular …, 2024 - Elsevier
A dichlorobis (nicotinamide) zinc (II) complex,[Zn (nicotinamide) 2 Cl 2], was crystallized
through the slow evaporation method, and its vibrational, electronic, structural, and thermal …

Structural, Vibrational, Thermal, and Cytotoxic Characterization of Aqua (1, 10‐Phenanthroline)(L‐Serinato) Copper (II) Nitrate Complex Combined with DFT …

MC Ramos, JG de Oliveira Neto… - Crystal Research …, 2023 - Wiley Online Library
In this study, X‐ray diffraction confirms the crystallization of aqua (1, 10‐phenanthroline)(L‐
serinato) copper (II) nitrate in the triclinic system (P‐1). Density functional theory calculations …

Exploring Thermal Stability, Vibrational Properties, and Biological Assessments of Dichloro(l-histidine)copper(II): A Combined Theoretical and Experimental Study

KR Abreu, JR Viana, JG Oliveira Neto, TG Dias… - ACS …, 2024 - ACS Publications
Dichloro (l-histidine) copper (II) crystal ([Cu (l-His) Cl2] complex) was obtained by the slow
evaporation method and characterized concerning its thermal stability, phase …

Synthesis, physicochemical properties, and antitumor cytotoxic activity of the Mg (II) coordination complex containing 1, 10-phenanthroline and sulfate ligands

JG de Oliveira Neto, JR Viana, ALA Butarelli… - Inorganica Chimica …, 2023 - Elsevier
Abstract The complex mer-triaqua-(1, 10-phenanthroline)-(sulfate-O)-magnesium (II) was
synthesized by the solvent slow evaporation method from the crystallization of an equimolar …