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

Journal article


Gaber, M., El-Ghamry, H.A., Fathalla, S.K. and Mansour, M.A. (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, pp. 78-89. https://doi.org/10.1016/j.msec.2017.11.004
AuthorsGaber, M., El-Ghamry, H.A., Fathalla, S.K. and Mansour, M.A.
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.

Year2018
JournalMaterials Science and Engineering: C
Journal citation83, pp. 78-89
PublisherElsevier
Digital Object Identifier (DOI)https://doi.org/10.1016/j.msec.2017.11.004
Publication dates
Print21 Nov 2017
Publication process dates
Accepted09 Nov 2017
Deposited10 Aug 2020
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