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, Journal Year: 2025, Volume and Issue: 13(3), P. 95 - 95

Published: March 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.

Language: Английский

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

Polyhedron, Journal Year: 2024, Volume and Issue: unknown, P. 117243 - 117243

Published: Sept. 1, 2024

Language: Английский