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

Abstract

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 alpha-glycosidase (Ki values are in the range of 7.14 +/- 1.97 to 29.34 +/- 3.18 mu M, 9.86 +/- 2.46 to 32.47 +/- 4.82 mu M, and 2.08 +/- 0.11 to 4.03 +/- 0.30 mu M for hCA I, hCA II, and alpha-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 alpha-Gly enzymes, molecular docking applications were performed.