Deghadi, Reem G.;
Abbas, Ashraf A.;
Mohamed, Gehad G.
Theoretical and experimental investigations of new bis (amino triazole) schiff base ligand: Preparation of its UO2(II), Er (III), and La (III) complexes, studying of their antibacterial, anticancer, and molecular docking
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Media type:
E-Article
Title:
Theoretical and experimental investigations of new bis (amino triazole) schiff base ligand: Preparation of its UO2(II), Er (III), and La (III) complexes, studying of their antibacterial, anticancer, and molecular docking
Contributor:
Deghadi, Reem G.;
Abbas, Ashraf A.;
Mohamed, Gehad G.
imprint:
Wiley, 2021
Published in:Applied Organometallic Chemistry
Language:
English
DOI:
10.1002/aoc.6292
ISSN:
0268-2605;
1099-0739
Origination:
Footnote:
Description:
<jats:p>UO<jats:sub>2</jats:sub>(II), Er (III), and La (III) complexes were prepared from new bis (amino triazole) Schiff base ligand. The ligand was synthesized by condensation of 1,3‐bis(4‐amino‐5‐phenyl‐1,2,4‐triazol‐3‐ylsulfanyl)propane with benzaldehyde. The structure of the prepared compounds was confirmed by some spectroscopic tools such as<jats:sup>1</jats:sup>H‐NMR, UV‐Vis, and IR, as well as molar conductance, mass spectrometry, elemental analysis, thermogravimetric analysis (TG), differential thermogravimetric (DTG), and differential thermal analysis (DTA) studies. The data revealed coordination of the complexes with tetradentate Schiff base. All complexes were octahedral. Computational studies for the prepared ligand by using DFT/B3LYP method were reported. The theoretical results described its bond lengths, angles, and dipole moment, and other parameters were calculated. The theoretical studies were supported the experimental data of the ligand and confirmed its successful preparation. Also, their antibacterial activities against four types of bacteria species (<jats:styled-content style="fixed-case"><jats:italic>Pseudomonas aeruginosa</jats:italic></jats:styled-content>,<jats:styled-content style="fixed-case"><jats:italic>Escherichia coli</jats:italic></jats:styled-content>,<jats:italic>Bacillus subtilis</jats:italic>, and<jats:styled-content style="fixed-case"><jats:italic>Staphylococcus aureus</jats:italic></jats:styled-content>) were investigated. The prepared complexes were biologically active compounds. The synthesized compounds were estimated for their anticancer activities against two cell lines (MCF‐7 and HepG2). The lowest IC<jats:sub>50</jats:sub>values were 17.6 and 23 μM for uranyl complex against MCF‐7 and ligand against HepG2 cell lines, respectively, which make them very important materials as anticancer drugs in the future researches. Finally, molecular docking studies were checked up for all prepared compounds with different protein receptors (3HB5 and 2GYT) to confirm their anticancer activities data.</jats:p>