The Effect of Central Metal Ions (Dy, Er, Ni, and V) on the Structural and HSA-Binding Properties of 2-Hydroxy-3-methoxybenzaldehyde Semicarbazone Complexes

Inorganics, Год журнала: 2025, Номер 13(3), С. 95 - 95

Опубликована: Март 20, 2025

2-Hydroxy-3-methoxybenzaldehyde semicarbazone (HMBS) is a multidentate ligand with interesting coordination behavior that depends on the central metal ion and overall complex geometry. In this contribution, structural characteristics of five HMBS-containing complexes different ions (Dy, Er, Ni, V) were investigated. Four binuclear one mononuclear selected from Cambridge Structural Database. The crystallographic structures intermolecular interactions in solid state analyzed, effect was elucidated. contributions most numerous contacts explained by examining additional ligands structure. Density functional theory (DFT) optimizations performed for complexes, applicability computational methods discussed. Quantum Theory Atoms Molecules (QTAIMs) approach employed to identify quantify nickel vanadium highlighting role weak between stabilizing Molecular docking studies interaction these Human Serum Albumin (HSA) demonstrated all compounds bind within active pocket protein. size presence aromatic rings emerged as key factors formation interactions.

Язык: Английский

Structural and synthesis study of eight isostructural coordination polymers formed by 5-sulfoisophthalic acid and lanthanide ions

Polyhedron, Год журнала: 2024, Номер unknown, С. 117243 - 117243

Опубликована: Сен. 1, 2024

Язык: Английский