Synthesis, spectral properties, in vitro alpha-glucosidase inhibitory activity and quantum chemical calculations of novel mixed-ligand M(II) complexes containing 1,10-phenanthroline

AVCI D., Alturk S., Sonmez F., Tamer O., BAŞOĞLU A., ATALAY Y., ...Daha Fazla

APPLIED ORGANOMETALLIC CHEMISTRY, cilt.34, sa.4, 2020 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 34 Sayı: 4
  • Basım Tarihi: 2020
  • Doi Numarası: 10.1002/aoc.5412
  • Dergi Adı: APPLIED ORGANOMETALLIC CHEMISTRY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Aerospace Database, BIOSIS, Chimica, Communication Abstracts, Compendex, Metadex, DIALNET, Civil Engineering Abstracts
  • Anahtar Kelimeler: 1, 10-phenanthroline and 6-methylpyridine-2-carboxylic acid, DFT, HSEh1PBE, docking, XRD, spectral analysis, alpha-glucosidase, NONLINEAR-OPTICAL-PROPERTIES, DENSITY-FUNCTIONAL THEORY, CRYSTAL-STRUCTURE, AB-INITIO, PICOLINATE COMPLEXES, TRANSITION-METAL, HARTREE-FOCK, ACID, HYPERPOLARIZABILITIES, 6-METHYLPICOLINATE
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

A series of mixed-ligand M(II) complexes containing 1,10-phenanthroline (phen) and 3-methylpyridine-2-carboxylic acid (3-mpaH) or 6-methylpyridine-2-carboxylic acid (6-mpaH), namely [Co(3-mpa)(2)(phen)]center dot 3H(2)O (1), [Hg(6-mpa)(2)(phen)]center dot 2H(2)O (2), [Mn(6-mpa)(2)(phen)]center dot 2H(2)O (3), [Co(6-mpa)(2)(phen)]center dot H2O (4) and [Ni(6-mpa)(2)(phen)]center dot H2O (5), were synthesized for the first time. Among them, 1 was obtained as single crystals. The structural characterization for 1 was conducted using X-ray diffraction and that for 2-5 using mass spectrometry. The IC50 values for alpha-glucosidase inhibition of 1-5 were obtained as 0.161 to >600 mu M. The spectral properties were also investigated using Fourier transform infrared and UV-visible spectra. Furthermore, to investigate the geometrical parameters, spectral and electronic properties and second- and third-order nonlinear optical parameters for 1-5, density functional calculations were applied.