Unveiling the multifaceted bioactivity of copper(ii)–Schiff base complexes: a comprehensive study of antioxidant, anti-bacterial, anti-inflammatory, enzyme inhibition and cytotoxic potentials with DFT insights

Dalton Transactions, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

The rise of various diseases demands the development new agents with antioxidant, antimicrobial, anti-inflammatory, enzyme-inhibiting, and cytotoxic properties. In this study, heterocyclic Schiff base complexes Cu(II) featuring a benzo[b]thiophene moiety were synthesized their biological activities evaluated. characterized using FT-IR, UV-Vis, EPR spectroscopy, TG-DTG analysis, magnetic moment measurements, molar conductivity elemental analyses. Density functional theory (DFT) calculations used to optimize theoretical molecular orbital energies copper complexes. exhibited square pyramidal planar geometries. Biological assays demonstrated that these generally outperformed ligands for activities. antioxidant capacity, measured via DPPH assay in methanol, was comparable those BHT ascorbic acid standards, 4BNPC showing lowest IC50 value, which attributed free OH group rather than coordination metal center. anti-bacterial activity assessed agar disc diffusion method against E. coli, P. aeruginosa, B. subtilis, S. aureus, BAC largest inhibition zone compared others ciprofloxacin as reference. anti-inflammatory activity, evaluated by HRBC membrane stabilization method, showed complex had moderate similar diclofenac. Enzyme studies α-amylase revealed highest values, surpassing ligands. Cytotoxicity Trypan blue exclusion DLA HepG2 cancer cell lines, MTT H9c2 human cells. BMPC superior cytotoxicity at both high low concentrations normal line. Among tested compounds, BNPC cells, while greatest higher concentrations, particularly reaching nearly 100% death 200 μg mL-1 lines. This suggests is promising candidate further pharmacological research,

Language: Английский

Synthesis, characterization, and biophysical and chemical properties of benzo[b]thiophene derivatives and their metal complexes

New Journal of Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

Urgent need for new treatments to combat rising health issues. Research focuses on compounds that fight oxidation, microbes, inflammation, while targeting specific cells and blocking harmful enzymes.

Language: Английский

Synthesis, Characterization, and Computational Exploration of Benzo[b] thiophene-incorporated Amino Phenol Schiff Bases through Crystal Structure Analysis, Hirschfeld Surface Inspection, Molecular Docking, and Dynamics Simulations

Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 142315 - 142315

Published: April 1, 2025

Language: Английский