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Synthesis, spectroscopic, thermal and molecular modeling studies of Zn2+, Cd2+ and UO22+ complexes of Schiff bases containing triazole moiety. Antimicrobial, anticancer, antioxidant and DNA binding studies

Synthesis, spectroscopic, thermal and molecular modeling studies of Zn2+, Cd2+ and UO22+ complexes of Schiff bases containing triazole moiety. Antimicrobial, anticancer, antioxidant and DNA binding studies
Synthesis, spectroscopic, thermal and molecular modeling studies of Zn2+, Cd2+ and UO22+ complexes of Schiff bases containing triazole moiety. Antimicrobial, anticancer, antioxidant and DNA binding studies
A novel series of Zn2+, Cd2+ and UO22+ complexes of ligands namely 1-[(5-mercapto-1H-1,2,4-triazole-3-ylimino) methyl]naphthalene-2-ol (HL1) and [(1H-1,2,4-triazole-3-ylimino) methyl] naphthalene-2-ol (HL2) have been prepared and characterized by different analytical and spectral techniques. The stoichiometry, stereochemistry, conductivity measurements and mode of bonding of the complexes have been elucidated. Accurate comparison of the IR spectra of the ligands with their metal chelates proved the involvement of nitrogen atoms of the azomethine group and/or triazole ring in chelation in addition to the deprotonated hydroxyl oxygen. The UV-Vis and molar conductance data supported the octahedral geometry for the metal complexes. TGA technique has been used to study the thermal decomposition way of the metal complexes and the thermo kinetic parameters were estimated. Valuable information is obtained from calculations of molecular parameters using the molecular modeling techniques. The interaction between the metal complexes and CT-DNA has been studied from which the binding constants (kb) were calculated. The Schiff bases and their metal chelates have shown potent antimicrobial, antioxidant and antitumor activities. The antitumor activities of the compounds have been tested in vitro against HEPG2 cell line and in silico by the molecular docking analysis with the VEGFR-2 receptor responsible for angiogenesis.
0928-4931
78-89
Gaber, Mohamed
ac18b0fd-e00b-48ef-bb82-de4191dd9234
El-Ghamry, Hoda A.
9361a28a-2174-4540-bd8a-3caf7559d994
Fathalla, Shaimaa K.
38a6f8f4-69aa-475a-9443-89ff05be6fc3
Mansour, Mohammed
03d901e1-959e-4c7d-acc6-33c6a4b129f7
Gaber, Mohamed
ac18b0fd-e00b-48ef-bb82-de4191dd9234
El-Ghamry, Hoda A.
9361a28a-2174-4540-bd8a-3caf7559d994
Fathalla, Shaimaa K.
38a6f8f4-69aa-475a-9443-89ff05be6fc3
Mansour, Mohammed
03d901e1-959e-4c7d-acc6-33c6a4b129f7

Gaber, Mohamed, El-Ghamry, Hoda A., Fathalla, Shaimaa K. and Mansour, Mohammed (2018) Synthesis, spectroscopic, thermal and molecular modeling studies of Zn2+, Cd2+ and UO22+ complexes of Schiff bases containing triazole moiety. Antimicrobial, anticancer, antioxidant and DNA binding studies. Materials Science and Engineering C, 83, 78-89. (doi:10.1016/j.msec.2017.11.004).

Record type: Article

Abstract

A novel series of Zn2+, Cd2+ and UO22+ complexes of ligands namely 1-[(5-mercapto-1H-1,2,4-triazole-3-ylimino) methyl]naphthalene-2-ol (HL1) and [(1H-1,2,4-triazole-3-ylimino) methyl] naphthalene-2-ol (HL2) have been prepared and characterized by different analytical and spectral techniques. The stoichiometry, stereochemistry, conductivity measurements and mode of bonding of the complexes have been elucidated. Accurate comparison of the IR spectra of the ligands with their metal chelates proved the involvement of nitrogen atoms of the azomethine group and/or triazole ring in chelation in addition to the deprotonated hydroxyl oxygen. The UV-Vis and molar conductance data supported the octahedral geometry for the metal complexes. TGA technique has been used to study the thermal decomposition way of the metal complexes and the thermo kinetic parameters were estimated. Valuable information is obtained from calculations of molecular parameters using the molecular modeling techniques. The interaction between the metal complexes and CT-DNA has been studied from which the binding constants (kb) were calculated. The Schiff bases and their metal chelates have shown potent antimicrobial, antioxidant and antitumor activities. The antitumor activities of the compounds have been tested in vitro against HEPG2 cell line and in silico by the molecular docking analysis with the VEGFR-2 receptor responsible for angiogenesis.

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More information

Accepted/In Press date: 9 November 2017
e-pub ahead of print date: 21 November 2017
Published date: 1 February 2018

Identifiers

Local EPrints ID: 432626
URI: https://eprints.soton.ac.uk/id/eprint/432626
ISSN: 0928-4931
PURE UUID: d82c6a44-95ef-4c79-9b4e-f052236dd58e

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Date deposited: 22 Jul 2019 16:30
Last modified: 22 Jul 2019 16:30

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Contributors

Author: Mohamed Gaber
Author: Hoda A. El-Ghamry
Author: Shaimaa K. Fathalla

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