Diverse coordination of isoniazid hydrazone Schiff base ligand towards iron (III): Synthesis, characterization, SC-XRD, HSA, QTAIM, MEP, NCI, NBO and DFT study

H Kargar, M Fallah-Mehrjardi… - Journal of Molecular …, 2022 - Elsevier
A new iron (III) complex has been successfully prepared by the reaction of an ONO donor
Schiff base, derived by condensing isoniazid and 3-ethoxysalicylaldehyde, with Fe (acac) 3 …

Synthesis, characterization, antimicrobial, density functional theory, and molecular docking studies of novel Mn (II), Fe (III), and Cr (III) complexes incorporating 4-(2 …

HM Abd El-Lateef, MM Khalaf, AA Amer, M Kandeel… - ACS …, 2023 - ACS Publications
This work synthesized three new CrAz2, MnAz2, and FeAz2 complexes and investigated
them using IR, mass, UV spectroscopy, elemental analysis, conductivity and magnetic tests …

Synthesis and Characterization of New Oxime Ligand and Its Cu (II) Complex: DFT Calculations, in Vitro Antibacterial Activity, Drug-Likeness Properties, and …

S Alkan, T Topal, E Karapınar - Russian Journal of Physical Chemistry A, 2024 - Springer
Abstract In this study, 1, 2-phenylenediamine-bis (isonitrosomethoxy-p-tolil keton) ligand
and its Cu metal complex were synthesized and its structure was determined by …

Density functional studies and spectroscopic analysis (FT-IR, FT-Raman, UV–visible, and NMR) with molecular docking approach on an anticancer and antifungal …

G Khanum, A Kumar, M Singh, A Fatima… - Journal of Molecular …, 2022 - Elsevier
hydroxy-3-methoxybenzaldehyde was investigated quantum chemically by DFT approach,
surface analysis by Hirshfeld and experimentally by NMR (FT-IR, UV-Visible 1Hsingle …

Synthesis, structural characterization, antioxidant, cytotoxic activities and docking studies of schiff base Cu (II) complexes

GN Rezk, OA El-Gammal, SH Alrefaee, I Althagafi… - Heliyon, 2023 - cell.com
By combining hydrazide with 2-Acetylpyridine, a hydrazone ligand (HL) was successfully
created. Several copper (II) salts have been used to create three copper (II) hydrazone …

Synthesis, XRD, spectroscopic (UV–Vis, IR, EPR) and biological evaluations of cobalt (II)-ciprofloxacin complex as antimicrobial agent: In silico molecular docking and …

T Aycan, F Öztürk, T Doruk - Journal of Molecular Structure, 2024 - Elsevier
Abstract Cobalt (II)-Ciprofloxacin complex ([Co (Cip) 2 (H 2 O) 2]. 2 (H 2 PO 4). 8 (H 2 O);
Cip= Ciprofloxacin) containing phosphoric acid was synthesized and its structure was …

Benzohydrazide derivative metal complex's antimicrobial and inhibitory effects on liver cancer cell lines and quinone oxidoreductase 2: Experimental, molecular …

TA Yousef, LHK Al-Jibori, AS Fiahan, AO Elzupir… - Journal of Molecular …, 2024 - Elsevier
The activity of benzohydrazide derivatives has good biological activity against many bacteria
species and different cancer cell lines, and the significance of metal complexes in boosting …

Experimental and theoretical evaluation of N-pyridoxal-salicylic acid hydrazide derived copper (II) complex with 2-methylimidazole

PK Vishwakarma, PS Jaget, MK Parte… - Journal of …, 2023 - Taylor & Francis
This article deals with the experimental and theoretical evaluations of N-pyridoxal-salicylic
acid hydrazide (H2pd-sah) 1 and its mixed-ligand copper (II) complex with 2 …

Synthesis and characterization of nano crystallite carboxamide-based iron (III) complexes: SOD mimetic activity, antibacterial and anticancer activity and molecular …

SA Al-Harbi - Journal of Biomolecular Structure and Dynamics, 2023 - Taylor & Francis
Three carboxamide-based ligands and their iron (III) complexes were prepared and
structurally characterized. Analytical, thermal and mass spectra measurements showed a 1 …

[PDF][PDF] Conformational analysis, spectroscopic (FTIR, NMR and UV-Vis.), molecular docking and quantum chemical simulation studies of 1-phenylethanone-O-pyropyl …

İ Kucuk, Y Kaya - Journal of Innovative Science and Engineering, 2018 - dergipark.org.tr
The stable conformer of the synthesized 1-phenylethanone-O-pyropyl oxime ether (PEPOE)
has been determined by potential energy profile analysis. All the structural parameters of …