Advances in Coordination Chemistry of Schiff Base Complexes: A Journey from Nanoarchitectonic Design to Biomedical Applications

Topics in Current Chemistry, Год журнала: 2025, Номер 383(1)

Опубликована: Фев. 3, 2025

Язык: Английский

---

Catalytic reduction, and bio evaluation for new favipiravir silver (I) nano complexes: Synthesis, structural characterization, optical properties, DFT study, and molecular docking

Materials Chemistry and Physics, Год журнала: 2025, Номер unknown, С. 130530 - 130530

Опубликована: Фев. 1, 2025

Язык: Английский

---

Synthesis, antioxidant activity, DFT simulations, molecular docking studies of Schiff base derivatives containing 2-(2-hydrazinyl) thiazole moiety

Journal of Molecular Structure, Год журнала: 2025, Номер unknown, С. 142150 - 142150

Опубликована: Март 1, 2025

Язык: Английский

---

Synthesis, characterization, DFT computational studies and biological activity of transition metal complexes derived from 4-(((6-nitrobenzo[d]thiazol-2-yl)imino)methyl)benzene-1,3-diol

Journal of Coordination Chemistry, Год журнала: 2024, Номер 77(17-19), С. 2252 - 2278

Опубликована: Окт. 1, 2024

A series of Co(II), Ni(II), Cu(II), Zn(II) complexes have been synthesized with a benzothiazole azo dye containing tridentate (NNO) donor ligand 4-(((6-nitrobenzo[d]thiazol-2-yl)imino)methyl)benzene-1,3-diol derived from 2-amino-6-nitrobenzothiazole and 2,4-dihydroxybenzaldehyde. The structures the novel metal were identified confirmed via various spectroscopic techniques (FT-IR,1H NMR,13C NMR, UV-Vis, mass spectrometry), TGA-DTA, powder X-ray diffraction, DFT calculations. optimal structural parameters chemical reactivity investigated using Density Functional Theory calculations (DFT/B3LYP,6-31G** LanL2DZ basis sets) to provide insight about their frontier molecular orbitals (FMO) electrostatic potential (MESP). In vitro DPPH radical scavenging used assess antioxidant activity complexes, indicating good activity. Ni(II) complex was most potent lowest IC50 values. in antibacterial activities explored by screening against bacteria (Bacillus subtilis) (E. coli) exhibiting significant tested strains as MIC value E. coli B. highest zone inhibition subtilis at 1000 μg/mL concentration). antifungal Aspergillus niger Candida albicans indicate that Co(II) is active for C. A. .

Язык: Английский

---

Novel Nanoparticle‐Sized Cu(II), Ru(III), and Th(IV) Chelates Derived From Quinaldine Azo Dye Ligand: DFT Studies, Molecular Docking, and Applications in Drug Development and Catalysis

Applied Organometallic Chemistry, Год журнала: 2024, Номер unknown

Опубликована: Окт. 28, 2024

ABSTRACT Three novel complexes of copper(II), ruthenium(III), and thorium(IV) ions with quinaldine azo dye ligand HL were synthesized in nanoscale. Applying mass spectroscopy, electronic, infrared, 1 H NMR, elemental, thermal investigations, their structures examined. By using nitrogen hydroxyl oxygen atoms to coordinate as a monobasic bidentate, it was found that the displayed bicapped square antiprism geometry metal ion, pyramidal arrangement copper(II) complex octahedral configuration ruthenium(III) complex. In order confirm complexes' geometrical arrangement, theoretical investigations carried out DFT/B3LYP/6–311 + G(d,p)/LANLDZ. The dipole moment, configuration, energetic parameters, HOMO–LUMO gap energy have been calculated. compounds formed nanometric forms, indicated by mean particle sizes obtained applying TEM. Based on TEM images for thorium(IV), average 11.04, 3.89, 1.52 nm, respectively. PANC‐1 A‐549 cells used tests evaluate compounds' anticancer activity against vinblastine reference. findings great cytotoxicity effect free its investigated cell lines different doses examined compounds. Ru(III) Cu(II) exhibited cytotoxic effectiveness greater than vinblastine. ligand, , strongest antibacterial is superior conventional medicines themselves complexes. most physiologically active compound's ideal conformation molecular docking research, manner which enzyme Panc‐1 link together determined. It interacts three modes target receptor (PANC‐1): hydrophobic force, electrostatic H‐bond. addition increasing candidate activity, these interactions can be design predict new, effective capacity act heterogeneous catalysts oxidation methyl violet 2B generated greatest catalytic efficiencies.

Язык: Английский

---

Novel Co(II), Cu(II) and Zn(II) complexes derived from thiazole containing Schiff base ligands: Green synthesis, antimicrobial and anti-cancer studies

Inorganic Chemistry Communications, Год журнала: 2024, Номер unknown, С. 113320 - 113320

Опубликована: Окт. 1, 2024

Язык: Английский

---