DNA binding studies of antibiotic drug cephalexin using spectroscopic and molecular docking techniques

Shahabadi, Nahid; Hashempour, Shokoufeh

doi:10.1080/15257770.2018.1562071

Cited by 21 publications

(6 citation statements)

References 46 publications

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“…Figure 2 explicitly states that the albumin band intensity increases at 277 nm with the gradual addition of the zinc(II) complex, illustrating a hyperchromic effect in the presence of the zinc(II) complex [12] . The observation of hyperchromic or hypochromic effects in the UV‐vis spectra due to the interaction of a small molecule with a macromolecule is stating of conformational variations in the macromolecule [13] . The hyperchromicity observed for zinc(II) complex‐HSA adduct can be attributed to the extension of peptide strands and the exposure of the chromophoric amino acid residues owing to the interaction [14] .…”

Section: Resultsmentioning

confidence: 99%

“…[12] The observation of hyperchromic or hypochromic effects in the UVvis spectra due to the interaction of a small molecule with a macromolecule is stating of conformational variations in the macromolecule. [13] The hyperchromicity observed for zinc(II) complex-HSA adduct can be attributed to the extension of peptide strands and the exposure of the chromophoric amino acid residues owing to the interaction. [14] In other words, the hyperchromicity seen in the absorption spectrum of zinc(II) complex-protein indicates environmental variations of the tryptophan 214 residue and a slight increment in the hydrophobicity of the microenvironment of the tryptophan 214 residue.…”

Section: Investigation Of Electronic Absorption Spectramentioning

confidence: 99%

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Multi‐Spectroscopic and Theoretical Analyses of Human Serum Albumin Binding to a Water‐Soluble Zinc(II) Complex including β‐Amino Alcohol

et al. 2022

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In this study, we examined the interaction process of human serum albumin (HSA) with a water-soluble zinc(II) complex of dichloro {2-[N-(2-hydroxyethylammonioethyl) imino methyl] phenol} at pH = 7.4 and in vitro utilizing molecular docking modeling and spectral techniques. In the multi-temperature fluorescence test, the consecutive and gradual addition of the zinc(II) complex to the HSA-containing cell resulted in fluorescence quenching, and it showed that the zinc(II) complex-protein interaction is associated with a static quenching mechanism; also, the number of binding sites (n) and the binding constant (K b ) were computed by this test. The evaluation of thermodynamic data showed spontaneous progression, and the involvement of hydrogen bonding/van der Waals forces in protein-zinc(II)complex formation. The site markers competition studies using two drugs, warfarin and ibuprofen, indicated that zinc(II) complex binds to the protein via site I/sub-domain IIA. The albumin-zinc(II) complex interaction and the structural alterations in the serum albumin were proved by electronic absorption technique and circular dichroism spectroscopy. Job's curve exhibited a stoichiometric ratio of 1 : 1 in the HSA-zinc(II) complex adduct. The accuracy of the results obtained from experimental findings on the interaction between HSA and zinc(II) complex was checked by molecular docking simulation, which illustrated a good agreement between experimental and theoretical data.

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Section: Resultsmentioning

confidence: 99%

Section: Investigation Of Electronic Absorption Spectramentioning

confidence: 99%

Multi‐Spectroscopic and Theoretical Analyses of Human Serum Albumin Binding to a Water‐Soluble Zinc(II) Complex including β‐Amino Alcohol

et al. 2022

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“…Additionally, the K b value of 14b was estimated to be 2.07×10 4 M −1 . The reported K b value of 14b is smaller than that of classical intercalators (ethidium bromide and [Ru(phen)DPPZ] whose binding constants have been determined to be in the order of 10 6 –10 7 M −1 ), [115] but it was found comparable with well‐established groove binding agents (∼10 4 M −1 ) [116–119] …”

Section: Resultsmentioning

confidence: 75%

Hantzsch‐Like Synthesis, DNA Photocleavage, DNA/BSA Binding, and Molecular Docking Studies of Bis(sulfanediyl)bis(tetrahydro‐5‐deazaflavin) Analogs Linked to Naphthalene Core

Ragheb

Abdelwahab

Darweesh

et al. 2022

Chemistry & Biodiversity

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The cyclocondensation reaction of aldehydes with dimedone and bis(6-aminopyrimidin-4-one) in acetic acid led to the formation of the corresponding bis (pyrimido[4,5-b]quinoline-4,6-diones) which are known as bis(sulfanediyl)bis(tetrahydro-5-deazaflavin) analogs in a single step. Also, bis(pyrimido[4,quinoline-4,6diones) which are linked to naphthyl core via phenoxymethyl linkage is prepared. The interactions of the synthesized compounds with DNA and bovine serum albumin (BSA) were studied. Gel electrophoresis assay was used to show the capability of the compounds to photocleave the supercoiled pBR322 plasmid DNA in UV-A (365 nm). Besides, the most photocleavable compound, bis(tetrahydropyrimido[4,5-b]quinoline-4,6-dione) linked to pyridin-3-yl at position-5 exhibits good binding affinities toward CT-DNA and BSA as supported by UV/VIS spectral studies. In addition to the experimental findings, a molecular docking simulation was performed to collect detailed binding data for this compound to both biomolecules.

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“…DNA binding studies DNA is the target of large number of pharmacologically active drug molecules, and the biological activity of several antibacterial drugs is directly related to DNA binding and inhibition of DNA replication (Waring 1991;Shahabadi and Hashempour, 2019). Therefore, the DNA interaction of ligand L1 and complex 2 was assessed through thermal denaturation and viscosity measurements.…”

Section: Inhibition Of Biofilm Formationmentioning

confidence: 99%

Synthesis and antimicrobial evaluation of a pyrazoline-pyridine silver(I) complex: DNA-interaction and anti-biofilm activity

et al. 2020

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The emergence of resistant bacterial strains mainly due to misuse of antibiotics has seriously affected our ability to treat bacterial illness, and the development of new classes of potent antimicrobial agents is desperately needed. In this study, we report the efficient synthesis of a new pyrazolinepyridine containing ligand L1 which acts as an NNdonor for the formation of a novel silver (I) complex 2. The free ligand did not show antibacterial activity. High potency was exhibited by the complex against three Gram-negative bacteria, namely Escherichia coli, Pseudomonas aeruginosa and Acinetobacter baumanii with the minimum inhibitory concentration

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DNA binding studies of antibiotic drug cephalexin using spectroscopic and molecular docking techniques

Cited by 21 publications

References 46 publications

Multi‐Spectroscopic and Theoretical Analyses of Human Serum Albumin Binding to a Water‐Soluble Zinc(II) Complex including β‐Amino Alcohol

Multi‐Spectroscopic and Theoretical Analyses of Human Serum Albumin Binding to a Water‐Soluble Zinc(II) Complex including β‐Amino Alcohol

Hantzsch‐Like Synthesis, DNA Photocleavage, DNA/BSA Binding, and Molecular Docking Studies of Bis(sulfanediyl)bis(tetrahydro‐5‐deazaflavin) Analogs Linked to Naphthalene Core

Synthesis and antimicrobial evaluation of a pyrazoline-pyridine silver(I) complex: DNA-interaction and anti-biofilm activity

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