Complexation of uranyl (UO2)2+ with bidentate ligands: XRD, spectroscopic, computational, and biological studies.
Abeer A. Sharfalddin,Abdul-Hamid M. Emwas,Mariusz Jaremko,Mostafa A. Hussien,Mostafa A. Hussien +4 more
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In this article, three new uranyl complexes were synthesized and characterized by elemental analysis, FT-IR, UV-Vis spectroscopy, powder XRD analysis, and molar conductivity.Abstract:
Three new uranyl complexes [(UO2)(OAc)2(CMZ)], [(UO2)(OAc)2(MP)] and [(UO2)(OAc)2(SCZ)] were synthesized and characterized by elemental analysis, FT-IR, UV-Vis spectroscopy, powder XRD analysis, and molar conductivity. The IR analysis confirmed binding to the metal ion by the sulfur and ethoxy oxygen atoms in the carbimazole (CMZ) ligand, while in the 6-mercaptopurine (MP) ligand, the sulfur and the N7 nitrogen atom of a purine coordinated binding to the metal ion. The third ligand showed a 1:1 molar ratio and bound via sulfonamide oxygen and the nitrogen of the pyrimidine ring. Analysis of the synthesized complexes also showed that acetate groups had monodentate binding to the (UO22+). Density Functional Theory (DFT) calculations at the B3LYP level showed similar structures to the experimental results. Theoretical quantum parameters predicted the reactivity of the complexes in the order, [(UO2)(OAc)2(SCZ)] > [(UO2)(OAc)2(MP)]> [(UO2)(OAc)2(CMZ)]. DNA binding studies revealed that [(UO2)(OAc)2(SCZ)] and [(UO2)(OAc)2(CMZ)] have the highest binding constant (Kb) among the uranyl complexes. Additionally, strong binding of the MP and CMZ metal complexes to human serum albumin (HSA) were observed by both absorbance and fluorescence approaches. The antibacterial activity of the complexes was also evaluated against four bacterial strains: two gram-negative; Escherichia coli and Klebsiella pneumonia, and two gram-positive; Staphylococcus aureus and Streptococcus mutans. [(UO2)(OAc)2(MP)] had the greatest antibacterial activity against Klebsiella pneumonia, the gram-positive bacteria, with even higher activity than the standard antibiotic. In vitro cytotoxicity tests were also performed against three human cancer lines, and revealed the most cytotoxic complexes to be [(UO2)(OAc)2(SCZ)], which showed moderate activity against a colon cancer cell line. Thus, uranyl addition enhances the antibacterial and anticancer properties of the free ligands.read more
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QSAR Modeling, Molecular Docking and Cytotoxic Evaluation for Novel Oxidovanadium(IV) Complexes as Colon Anticancer Agents
Fatimah Y. Alomari,Abeer A. Sharfalddin,Magda H. Abdellattif,Doaa Domyati,Amal S. Basaleh,Mostafa A. Hussien +5 more
TL;DR: In this paper , four new drug-based oxidovanadium (IV) complexes were synthesized and characterized by various spectral techniques, including molar conductance, magnetic measurements, and thermogravimetric analysis.
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Theoretical Investigation by DFT and Molecular Docking of Synthesized Oxidovanadium(IV)-Based Imidazole Drug Complexes as Promising Anticancer Agents
Amal S. Basaleh,Fatimah Y. Alomari,Abeer A. Sharfalddin,Najlaa S. Al-Radadi,Doaa Domyati,Mostafa A. Hussien +5 more
TL;DR: The synthesis and structural characterization of oxidovanadium(IV)-based imidazole drug complexes by the elemental analyzer, molar conductance, magnetic moment, spectroscopic techniques, as well as thermal analysis suggest that the synthesized complexes can be introduced as effective anticancer agents.
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Synthesis, Spectroscopic Characterization and Biological Studies of Mn(II), Cu(II), Ni(II), Co(II) and Zn(II) Complexes with New Schiff Base of 2-((Pyrazine-2-ylimino)methyl)phenol
Hanan B. Howsaui,Abeer A. Sharfalddin,Magda H. Abdellattif,Amal S. Basaleh,Mostafa A. Hussien +4 more
TL;DR: In this paper, transition metal complexes of Schiff base derived from 2-aminopyrazine and salicylaldehyde were successfully synthesized and characterized based on elemental analyses, spectroscopic and thermal analysis.
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Substitution effect on new Schiff base ligand in complexation with some divalent Metal ion; Synthesis, Characterization, DFT and Cytotoxicity Studies
TL;DR: In this paper , a transition metal complex from Schiff base ligands derived from bromo/nitro salicylaldehyde derivatives and pyrazine has been synthesized using DFT/B3LYP and quantum parameters investigation.
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Therapeutic Properties of Vanadium Complexes
Abeer A. Sharfalddin,Inas Al-Younis,Hamdoon H. Mohammed,Manel Dhahri,Fouzi Mouffouk,Hijazi Abu Ali,Md. Jamir Anwar,K A Qureshi,Mostafa A. Hussien,Mawadda Alghrably,Mariusz Jaremko,Noura Alasmael,Joanna Izabela Lachowicz,Abdul-Hamid M. Emwas +13 more
TL;DR: A review of biochemical pathways regulated by vanadium compounds and their potential therapeutic benefits for a range of disorders including type 2 diabetes, cancer, cardiovascular disease, and microbial pathology is presented in this article .
References
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Mixed-ligand complexes of ruthenium(II): factors governing binding to DNA
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Electronic Structure, Spectra, and Magnetic Properties of Oxycations. III. Ligation Effects on the Infrared Spectrum of the Uranyl Ion
TL;DR: In this paper, a series of uranyl complexes KxUO2Ly(NO3)2, where L is the variable ligand (or ligands), has been prepared; it has been shown that a ligand series may be defined using the antisymmetric stretching frequency of the uranyl entity, and this series exhibits a remarkable parallelism with the spectrochemical series defined by Δ in octahedral complexes of transition metals of the first and 2nd series.