Spectroscopic evaluation of Zn (II) complexes with drug analogues: Interactions with BSA and the pH effect on the drug-Zn (II) system.

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Title: Spectroscopic evaluation of Zn (II) complexes with drug analogues: Interactions with BSA and the pH effect on the drug-Zn (II) system.
Authors: Vlasiou, Manolis C.1 (AUTHOR) vlasiou.m@unic.ac.cy, Pafiti, Kyriaki S.1 (AUTHOR)
Source: Spectrochimica Acta Part A: Molecular & Biomolecular Spectroscopy. Nov2020, Vol. 241, pN.PAG-N.PAG. 1p.
Subjects: pH effect, Acetamide, Zinc ions, Zinc compounds, Carrier proteins, Amino acid residues, Fluorescence spectroscopy, Drug interactions
Abstract: Using UV–Vis, FT-IR, fluorescence spectroscopy and protein-ligand docking, the interactions between the zinc complexes with drug analogues and bovine serum albumin were investigated. In addition, considering the ubiquitous presence of zinc ions in the human system, we studied the interactions between this ion with hymecromone, dihydropyridine analogue, and acetamide, as well as the pH influence on these systems. The complexes were synthesized by interaction between the ligands and the Zn (II) ion in a 2:1 M ratio. Elemental analysis, FT-IR, and UV–Vis spectroscopy studies investigated the structure of the synthesized complexes. Fluorescence spectroscopy, UV–Vis, molecular docking and molecular dynamics were used to study the interactions of the Zn complexes with the BSA. The drug-Zn (II) system's pH effect was investigated using UV–Vis spectroscopy. After the complexation with the zinc, the drug molecules exhibited higher apparent binding affinity to BSA. BSA's fluorescence efficiency by the drug analogues was enhanced. In addition, molecular modelling was used to classify the residue of amino acids in the BSA playing key roles in this binding interaction. An increase in pH appears to contribute to alkaline hydrolysis of the Zn (II) molecules. Unlabelled Image • Zinc metal ions contributes to different binding affinities of drugs on transport proteins. • Drug analogues can be vehicles for Zn and allies to its redox potential. • Zinc-drug complexes could be unstable to light alkaline conditions. [ABSTRACT FROM AUTHOR]
Copyright of Spectrochimica Acta Part A: Molecular & Biomolecular Spectroscopy is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Engineering Source
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  Label: Title
  Group: Ti
  Data: Spectroscopic evaluation of Zn (II) complexes with drug analogues: Interactions with BSA and the pH effect on the drug-Zn (II) system.
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  Data: <searchLink fieldCode="AR" term="%22Vlasiou%2C+Manolis+C%2E%22">Vlasiou, Manolis C.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> vlasiou.m@unic.ac.cy</i><br /><searchLink fieldCode="AR" term="%22Pafiti%2C+Kyriaki+S%2E%22">Pafiti, Kyriaki S.</searchLink><relatesTo>1</relatesTo> (AUTHOR)
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  Data: <searchLink fieldCode="JN" term="%22Spectrochimica+Acta+Part+A%3A+Molecular+%26+Biomolecular+Spectroscopy%22">Spectrochimica Acta Part A: Molecular & Biomolecular Spectroscopy</searchLink>. Nov2020, Vol. 241, pN.PAG-N.PAG. 1p.
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  Data: <searchLink fieldCode="DE" term="%22pH+effect%22">pH effect</searchLink><br /><searchLink fieldCode="DE" term="%22Acetamide%22">Acetamide</searchLink><br /><searchLink fieldCode="DE" term="%22Zinc+ions%22">Zinc ions</searchLink><br /><searchLink fieldCode="DE" term="%22Zinc+compounds%22">Zinc compounds</searchLink><br /><searchLink fieldCode="DE" term="%22Carrier+proteins%22">Carrier proteins</searchLink><br /><searchLink fieldCode="DE" term="%22Amino+acid+residues%22">Amino acid residues</searchLink><br /><searchLink fieldCode="DE" term="%22Fluorescence+spectroscopy%22">Fluorescence spectroscopy</searchLink><br /><searchLink fieldCode="DE" term="%22Drug+interactions%22">Drug interactions</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: Using UV–Vis, FT-IR, fluorescence spectroscopy and protein-ligand docking, the interactions between the zinc complexes with drug analogues and bovine serum albumin were investigated. In addition, considering the ubiquitous presence of zinc ions in the human system, we studied the interactions between this ion with hymecromone, dihydropyridine analogue, and acetamide, as well as the pH influence on these systems. The complexes were synthesized by interaction between the ligands and the Zn (II) ion in a 2:1 M ratio. Elemental analysis, FT-IR, and UV–Vis spectroscopy studies investigated the structure of the synthesized complexes. Fluorescence spectroscopy, UV–Vis, molecular docking and molecular dynamics were used to study the interactions of the Zn complexes with the BSA. The drug-Zn (II) system's pH effect was investigated using UV–Vis spectroscopy. After the complexation with the zinc, the drug molecules exhibited higher apparent binding affinity to BSA. BSA's fluorescence efficiency by the drug analogues was enhanced. In addition, molecular modelling was used to classify the residue of amino acids in the BSA playing key roles in this binding interaction. An increase in pH appears to contribute to alkaline hydrolysis of the Zn (II) molecules. Unlabelled Image • Zinc metal ions contributes to different binding affinities of drugs on transport proteins. • Drug analogues can be vehicles for Zn and allies to its redox potential. • Zinc-drug complexes could be unstable to light alkaline conditions. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Spectrochimica Acta Part A: Molecular & Biomolecular Spectroscopy is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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RecordInfo BibRecord:
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        Value: 10.1016/j.saa.2020.118641
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      – Code: eng
        Text: English
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      – SubjectFull: pH effect
        Type: general
      – SubjectFull: Acetamide
        Type: general
      – SubjectFull: Zinc ions
        Type: general
      – SubjectFull: Zinc compounds
        Type: general
      – SubjectFull: Carrier proteins
        Type: general
      – SubjectFull: Amino acid residues
        Type: general
      – SubjectFull: Fluorescence spectroscopy
        Type: general
      – SubjectFull: Drug interactions
        Type: general
    Titles:
      – TitleFull: Spectroscopic evaluation of Zn (II) complexes with drug analogues: Interactions with BSA and the pH effect on the drug-Zn (II) system.
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            NameFull: Vlasiou, Manolis C.
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            NameFull: Pafiti, Kyriaki S.
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              M: 11
              Text: Nov2020
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              Y: 2020
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              Value: 241
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