Synthesis and structure elucidation of novel salophen-based dioxo-uranium(VI) complexes: In-vitro and in-silico studies of their DNA/BSA-binding properties and anticancer activity

Ebrahimipour, S. Yousef; Mohamadi, Maryam; Mahani, Masoud Torkzadeh; Mague, Joel T.; Sheikhshoaei, Iran

doi:10.1016/j.ejmech.2017.08.068

Cited by 24 publications

(9 citation statements)

References 82 publications

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“…The results clarified that uranyl complexes show better anticancer activities than ligands when both cells are examined [54][55][56][57][58][59]. By comparison with the literature results [8][9][10][11][12] of the activity of uranyl complexes as anticancer agents for many different cell lines, it was found that the Schiff's base uranyl complexes that were prepared in this study have more effective IC50, which indicated less toxicity than previously reported results, which may be because this is the first study that investigated their effect against ovarian cancer and melanoma cell lines.…”

Section: Anticancer and Toxicological Studiesmentioning

confidence: 59%

Synthesis, Structural Investigations, Molecular Docking, and Anticancer Activity of Some Novel Schiff Bases and Their Uranyl Complexes

et al. 2021

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Three novel 2-aminopyrazine Schiff bases derived from salicylaldehyde derivatives and their uranyl complexes were synthesized and characterized by elemental analysis, UV-vis, FTIR, molar conductance, and thermal gravimetric analysis (TGA). The proposed structures were optimized using density functional theory (DFT/B3LYP) and 6–311G ∗(d,p) basis sets. All uranyl complexes are soluble in DMSO and have low molar conductance, which indicates that all the complexes are nonelectrolytes. The DNA binding of those Schiff bases and their uranyl complexes was studied using UV-vis spectroscopy, and screening of their ability to bind to calf thymus DNA (CT-DNA) showed that the complexes interact with CT-DNA through an intercalation mode, for which the Kb values ranged from 1 × 106 to 3.33 × 105 M−1. The anticancer activities of the Schiff base ligands and their uranyl complexes against two ovarian (Ovcar-3) and melanoma cell lines (M14) were investigated, and the results indicated that uranyl complexes exhibit better results than the Schiff base ligands. Molecular docking identified the distance, energy account, type, and position of links contributing to the interactions between these complexes and two different cancer proteins (3W2S and 2OPZ).

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Section: Anticancer and Toxicological Studiesmentioning

confidence: 59%

Synthesis, Structural Investigations, Molecular Docking, and Anticancer Activity of Some Novel Schiff Bases and Their Uranyl Complexes

et al. 2021

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“…Assignment of the prominent FTIR bands corresponded to [Cu(L)(2imi)] in the region of 400–4000 cm −1 are listed in the experimental section. The highly intense feature of the band observed at 1610 cm −1 was ascribed to the azomethine moiety vibration . The stretching vibrations of C−O and N−H appeared at 1306 and 3420 cm −1 , respectively .…”

Section: Resultsmentioning

confidence: 95%

“…Besides, hypochromism with no significant red shift has been the result of limited intercalation in terms of molecules with bulky structures with no full intercalation capacity. Surface binding was shown to cause a slight absorbance decrease without any noticeable shift in λ max …”

Section: Resultsmentioning

confidence: 99%

“…The negative ΔG signs imply that the Cu(II) complex has been bound to BSA spontaneously. Given the above relationship, the sign ΔG is negative since the ΔH value with a negative sign is higher than the product of ΔS by T of a negative sign, implying that the formation of the [Cu(L)(2imi)]‐BSA adduct is the reaction of a enthalpy‐driven type …”

Section: Resultsmentioning

confidence: 99%

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In‐silico and In‐vitro Studies on the DNA/BSA‐Binding Features of a Mixed Ligand Copper (II) Complex Containing 2‐Methyl Imidazole and a Schiff Base Ligand

et al. 2019

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The study aimed at investigating the binding features of the mixed ligand Copper (II) complex to BSA and DNA. Both in‐silico and in‐vitro analyses were made to fully assess the binding mechanism and mode of the Copper (II) complex to BSA and DNA. Spectroscopic tests demonstrated the Copper (II) complex reacted with DNA through binding to its minor grooves with the association constant 3.36×103 M−1. This type of interaction was confirmed by molecular docking simulations. Tryptophan quenching analyses at 298, 303 and 308 K showed that the Copper (II) complex reacted with the BSA's ground‐state fluorophore and created a non‐fluorescent adduct. In other words, a static quenching approach was offered with the quenching rate constants within the span of 3.4×1012‐1.28×1013 M−1s−1. Besides, the values of binding constants at various temperatures were achieved, implying the moderate similarity of the Copper (II) complex to the serum's albumin. Research on thermodynamic factors suggested the complex‐BSA bond was an enthalpy‐induced reaction where Van der Waals forces and the hydrogen bond performed the leading role. The simulations of molecular docking verified the test results and demonstrated the amino acids engaged in the bond between BSA and the Copper (II) complex.

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“…Molecular docking has been increasingly used to predict the affinity, orientation, and structure‐activity relationship of drugs into the binding site of target region of biomacromolecules . In this work, the binding modes and the residues involved in interactions of cefixime with six different types of DNA have been explored with molecular docking studies using Sybyl–X 2.1.1 package.…”

Section: Resultsmentioning

confidence: 99%

A sensitive fluorescent sensor based on the photoinduced electron transfer mechanism for cefixime and ctDNA

Yang

Liu

et al. 2020

J of Molecular Recognition

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Cefixime is a third generation orally administered cephalosporin that is frequently used as a broad spectrum antibiotic against various gram-negative and gram-positive bacteria. In this study, a simple and sensitive fluorescent sensor for the determination of the cefixime and ctDNA was established based on the CdTe:Zn 2+ quantum dots (QDs). The fluorescence of CdTe:Zn 2+ QDs can be effectively quenched by cefixime in virtue of the surface binding of cefixime on CdTe:Zn 2+ QDs and the subsequent photoinduced electron transfer process from CdTe:Zn 2+ QDs to cefixime, in particular, the high sensitivity of QDs fluorescence emission to cefixime at the micromole per liter level, which render the cefixime-CdTe:Zn 2+ QDs system into fluorescence "OFF" status, then turn on in the presence of ctDNA. Furthermore, the Fourier transform infrared (FTIR) spectra of characteristic bands of C-N and N-H groups of cefixime endow evidence for the interaction of cefixime with CdTe:Zn 2+ QDs. The relative electrochemical behavior of the affinity of CdTe:Zn 2+ QDs for cefixime and ctDNA reveals the potential molecular binding mechanism. K E Y W O R D SCdTe:Zn 2+ QDs, cefixime, ctDNA, fluorescent sensor, photoinduced electron transfer

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Synthesis and structure elucidation of novel salophen-based dioxo-uranium(VI) complexes: In-vitro and in-silico studies of their DNA/BSA-binding properties and anticancer activity

Cited by 24 publications

References 82 publications

Synthesis, Structural Investigations, Molecular Docking, and Anticancer Activity of Some Novel Schiff Bases and Their Uranyl Complexes

Synthesis, Structural Investigations, Molecular Docking, and Anticancer Activity of Some Novel Schiff Bases and Their Uranyl Complexes

In‐silico and In‐vitro Studies on the DNA/BSA‐Binding Features of a Mixed Ligand Copper (II) Complex Containing 2‐Methyl Imidazole and a Schiff Base Ligand

A sensitive fluorescent sensor based on the photoinduced electron transfer mechanism for cefixime and ctDNA

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