Journal of Thermal Analysis and Calorimetry

, Volume 131, Issue 2, pp 1249–1267 | Cite as

Elaborated spectral, modeling, QSAR, docking, thermal, antimicrobial and anticancer activity studies for new nanosized metal ion complexes derived from sulfamerazine azodye

  • Fawaz A. Saad
  • Jabir H. Al-Fahemi
  • Hoda El-Ghamry
  • Abdalla M. Khedr
  • Marwa G. Elghalban
  • Nashwa M. El-Metwaly


New azodye ligand (H2L) and its relative Cr(III)-, Mn(II)-, Fe(III)-, Co(II)-, Ni(II)-, Cu(II)-, Zn(II)- and Cd(II)-nanosized complexes were prepared. A new synthesized compounds were characterized using spectral (mass, IR, UV–Vis, XRD, and ESR) and analytical (elemental, molar conductance, thermal and magnetic moment measurements) tools. Infrared spectra showed that the ligand behaves as a monobasic bidentate, coordinating with central atoms through carbonyl oxygen and α-hydroxyl group. The geometrical structures of Cr(III) and Fe(III) complexes were found to be in octahedral configuration, whereas Mn(II), Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) complexes have tetrahedral forms. XRD patterns reflect an amorphous appearance of all investigated complexes. TEM images showed nanosized particles and identical distribution over the complex surface. Molecular modeling for the drug ligand and its metal ion complexes were performed using Gaussian09 program to assert on their structural formulae. Some essential parameters were extracted using HOMO and LUMO energies. AutoDock tools 4.2 was used to simulate the interaction process with infected cell proteins to expect the experimental pathway. The inhibition activity of drug ligand and its metal ion complexes was evaluated towards different types of bacteria and fungi through in vitro antimicrobial activities. The antitumor activities of all compounds are straightened towards human liver carcinoma (HEPG2) cell lines. Fe(III) and Co(II) complexes exhibited IC50 of 2.90 and 4.23 µg mL−1, respectively, which means they are more potent anticancer drug than the standard (doxorubicin, IC50 = 4.73 µg mL−1). Therefore, the two complexes may consider promising anticancer drugs.


Nanosized complexes Sulfamerazine azodye Spectral Thermal Antimicrobial and anticancer studies 

Supplementary material

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Supplementary material 1 (DOCX 8098 kb)


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Copyright information

© Akadémiai Kiadó, Budapest, Hungary 2017

Authors and Affiliations

  • Fawaz A. Saad
    • 1
  • Jabir H. Al-Fahemi
    • 1
  • Hoda El-Ghamry
    • 1
    • 2
  • Abdalla M. Khedr
    • 1
    • 2
  • Marwa G. Elghalban
    • 1
    • 3
  • Nashwa M. El-Metwaly
    • 1
    • 3
  1. 1.Department of Chemistry, Faculty of Applied ScienceUmm Al-Qura UniversityMeccaSaudi Arabia
  2. 2.Chemistry Department, Faculty of ScienceTanta UniversityTantaEgypt
  3. 3.Chemistry Department, Faculty of ScienceMansoura UniversityMansouraEgypt

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