Synthesis, characterization, crystal structure, molecular docking, and biological studies of Cu, Ni and Co metal complexes of pyrazole


Mahmudov I., Ibrahimova B., Taslimi P., Sadeghian N., Karaoğlan Z., Taskin-Tok T., ...Daha Fazla

Journal of Molecular Structure, cilt.1309, 2024 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 1309
  • Basım Tarihi: 2024
  • Doi Numarası: 10.1016/j.molstruc.2024.138205
  • Dergi Adı: Journal of Molecular Structure
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core, Chimica, Compendex, INSPEC
  • Anahtar Kelimeler: Enzyme inhibition, Metal complexes, Molecular docking, N-ligands, Pyrazole
  • Atatürk Üniversitesi Adresli: Evet

Özet

Utilizing ligands based on pyrazole synthesized some transition metal complexes. Selected salts such as Co(CH3COO)2·4H2O, Ni(CH3COO)2·4H2O (in the presence of triethylamine), Cu(CH3COO)2·H2O (in the presence of triethylamine) and CuCl2·2H2O reacted with the ligand (E)-1-(amino(1H-pyrazol-1-yl) methylene) guanidinium chloride in methanol as a solvent. Obtained novel metal complexes characterized using different analyses such as infrared spectroscopy, electrospray ionization mass spectrometry, single-crystal X-ray diffraction, and elemental analysis. Additionally, a novel series of complexes (2a-d) were investigated for their ability to inhibit enzymes. They exhibited highly potent inhibition effect on human carbonic anhydrase I and II (hCA I and II) and α-glycosidase (Ki values are in the range of 7.14 ± 1.97 to 29.34 ± 3.18 µM, 9.86 ± 2.46 to 32.47 ± 4.82 µM, and 2.08 ± 0.11 to 4.03 ± 0.30 µM for hCA I, hCA II, and α-glycosidase, respectively). Indeed, insulin and oral antidiabetic medications are the two mainstays of clinical diabetes treatment. To learn more about the potential of pyrazole-based metal complexes of Cu, Ni, and Co and how successfully they can inhibit hCA I, hCA II, and α-Gly enzymes, molecular docking applications were performed.