Accès ouvert

Design, biological evaluation, solvatochromic, DFT, and molecular docking studies of new metal complexes derived from a semicarbazone ligand

Article scientifique 2025 Anglais

Résumé

The current study describes the synthesis and characterization of novel Ni(II), Co(II), and Fe(III) complexes of the semicarbazone ligand (ACMHCA). Spectroscopic, conductance, elemental, and magnetic studies confirmed octahedral geometries. Solvatochromic fluorescence analyses, supported by DFT/TD-DFT calculations, revealed higher excited-state dipole moments indicating increased polarity upon excitation. Among the complexes, Co(II)-ACMHCA displayed the highest polarizability and hyperpolarizability, suggesting potential in optoelectronics. Biological assays demonstrated notable antimicrobial and anticancer activities, with docking studies confirming strong receptor binding. These findings highlight the therapeutic and functional potential of ACMHCA-based metal complexes.

Citer ce document

Ibrahim, M., Taha, A., Adly, O., Fahmy, S., Abdelaziz, M., Salah, N. (2025). Design, biological evaluation, solvatochromic, DFT, and molecular docking studies of new metal complexes derived from a semicarbazone ligand. https://doi.org/10.1038/s41598-025-26629-2

Accès au document

Texte intégral en lecture en ligne, réservé aux abonnés SPHAERO et aux membres de l'institution. Se connecter

Voir l'article sur le site de la revue

Auteur(s)

Magdy A. Ibrahim Ahmed Aboueloyoun Taha Omima M.I. Adly Shery A. Fahmy Maged Abdelaziz Nesma Salah

Statistiques

Consultations : 1

Téléchargements : 0