Vol. 8 (2025), Article ID 246168, 10 pages
Research Article
Study of dibutyltin(IV) complex of some Schiff bases of hydrazone ligands and their effects as antimicrobial, antifungal, DFT calculation, and molecular docking
Abeer Taha Ibrahim,1 Hatem Mohamed Shehata,1,2 Mohamed Refaat Shehata,1 Ahmed Abdo El-Sherif,1 and Laila H. Abdel-Rahman3
1Chemistry Department, Faculty of Science, Cairo University, 12613 Giza, Egypt
2El-Galaa Maternity Teaching Hospital, 11432 Cairo, Egypt
3Chemistry Department, Faculty of Science, Sohag University, 82534 Sohag, Egypt
Received 5 January 2024; Revised 27 May 2024; Accepted 19 June 2024; Published 13 June 2025
Abeer Taha Ibrahim, Hatem Mohamed Shehata, Mohamed Refaat Shehata, Ahmed Abdo El-Sherif, and Laila H. Abdel-Rahman, Study of dibutyltin(IV) complex of some Schiff bases of hydrazone ligands and their effects as antimicrobial, antifungal, DFT calculation, and molecular docking, Journal of Transition Metal Complexes, 8 (2025), art246168. doi:10.32371/jtmc/246168
The complex of dibutyltin(IV) dichloride with Schiff-base of hydrazone ligand has been synthesized and characterized. The complex formed was characterized by conductance measurements, elemental analysis, TGA, FTIR, and 1H NMR. DFT calculations have been achieved to study the equilibrium geometry of hydrazone ligand and its dibutyltin(IV) complex. The optimization of the dibutyltin(IV) complex structure shows that the Sn atom is six-coordinated in an octahedral geometry and the hydrazone ligand nitrogen atoms and the two chloride ions are in one plane. The distance between the two nitrogen atoms in the free hydrazone ligand is 2.944 Å and decreased to 2.647 Å in the complex. The anti-microbial activities of the ligand L and dibutyltin(IV) dichloride and [Sn(C4H9)2LCl] complex have been done against various strains of bacteria antimicrobial Staphylococcus aureus (+ve), Klebsiella pneumonia (-ve), Escherichia coli (-ve) and against antifungal Candida albicans. The complex exhibited higher activity against Gram-positive Staphylococcus aureus than Gram-negative Escherichia coli and Klebsiella pneumonia. The optimized most stable configurations of the ligand and [Sn(C4H9)2LCl] were obtained from the Gaussian 09 proGram. Molecular docking was performed using MOA2022 software on Staphylococcus aureus (Gram +ve bacteria) (PDB ID: 1jij) and antifungal Candida albicans.
dibutyltin(IV) complexes; hydrazone; Schiff-bases; biological studies, DFT, docking
Copyright © 2025 Abeer Taha Ibrahim et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.