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Two New Co(II) Complexes of Picolinate: Synthesis, Crystal Structure, Spectral Characterization, α-Glucosidase İnhibition and TD/DFT Study

  • Sümeyye AltürkEmail author
  • Davut AvcıEmail author
  • Belma Zengin Kurt
  • Ömer Tamer
  • Adil Başoğlu
  • Fatih Sönmez
  • Yusuf Atalay
  • Necmi Dege
Article
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Abstract

Co(II) complexes of 2-picolinic acid (picH) and 6-methylpyridine-2-carboxylic acid (6-MepicH) {[Co(pic)2·2H2O], (1), [Co(6-Mepic)(pic)·2H2O], (2)} were obtained and their structural and spectroscopic properties were investigated by XRD, FT–IR and UV–Vis spectroscopic techniques. The measurement of α-glucosidase inhibition of the synthesized complex 2 was fulfilled by IC50 values. In order to provide further explanations about the electronic spectral properties, TD–DFT calculations in ethanol solvent and gas phase were carried out. HSEh1PBE/6-311G(d,p) level has been used to calculate the nonlinear optics (NLO) parameters and frontier molecular orbital (FMO) energies. The experimental refractive indexes and optical band gap energies for the Co(II) complexes have been obtained using FT–IR and UV–Vis spectra, respectively. Lastly, the molecular docking study of Co(II) complexes was carried out in order to demonstrate interactions between the synthesized complexes and target protein (the template structure S. cerevisiae isomaltase).

Graphical Abstract

Keywords

6-Methylpyridine 2-Carboxylic acid 2-Picolinic acid XRD FT–IR and UV–Vis TD/DFT HSEh1PBE α-Glucosidase Molecular Docking 
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Notes

Acknowledgements

This work was supported by the Scientific and Technological Research Council of Turkey (TÜBİTAK) (Project Number: MFAG-117F235).

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© Springer Science+Business Media, LLC, part of Springer Nature 2019

Authors and Affiliations

  • Sümeyye Altürk
    • 1
    Email author
  • Davut Avcı
    • 1
    Email author
  • Belma Zengin Kurt
    • 2
  • Ömer Tamer
    • 1
  • Adil Başoğlu
    • 1
  • Fatih Sönmez
    • 3
  • Yusuf Atalay
    • 1
  • Necmi Dege
    • 4
  1. 1.Department of Physics, Faculty of Arts and SciencesSakarya UniversitySakaryaTurkey
  2. 2.Department of Pharmaceutical Chemistry, Faculty of PharmacyBezmialem Vakif UniversityIstanbulTurkey
  3. 3.Department of Chemistry, Faculty of Arts and SciencesSakarya UniversitySakaryaTurkey
  4. 4.Department of Physics, Faculty of Arts and SciencesOndokuz Mayıs UniversitySamsunTurkey

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