Synthesis, DFT calculations and molecular docking study of mixed ligand metal complexes containing 4,4′-dimethyl-2,2′-bipyridyl as α-glucosidase inhibitors

Experimental and theoretical approaches on structural, spectroscopic (FT‐IR and UV‐Vis), nonlinear optical, and molecular docking analyses for Zn (II) and Cu (II) complexes of 6‐chloropyridine‐2‐carboxylic acid

“…Two oxygen atoms (O2 and O5) of the 6‐chloropyridine‐2‐carboxylate ligand are in axial positions, with the distance from the equatorial plane being 2.0565(15) and 2.0286(14), respectively. The sum of N1‐Zn1‐O4 (87.20[6]°), O4‐Zn1‐O3 (92.71[7]°), O3‐Zn1‐N2 (95.38[8]°), and N2‐Zn1‐N1 (90.98[6]°) bond angles is 366.15°, which further confirms that the four atoms are nearly coplanar 29,50,51 . When the bond lengths between the central metal ion and the surrounding donor atoms were examined, it was concluded that the bond lengths of Zn1O2 and Zn1O5 were shorter due to the Jahn‐Teller effect 50,52 .…”

“…The sum of N1-Zn1-O4 (87.20 [6] ), O4-Zn1-O3 (92.71 [7] ), O3-Zn1-N2 (95.38 [8] ), and N2-Zn1-N1 (90.98 [6] ) bond angles is 366.15 , which further confirms that the four atoms are nearly coplanar. 29,50,51 When the bond lengths between the central metal ion and the surrounding donor atoms were examined, it was concluded that the bond lengths of Zn1 O2 and Zn1 O5 were shorter due to the Jahn-Teller effect. 50,52 The [8] ), and O4 Cu1 N1 (107.59 [7] ) bond angles is observed as 359.52 .…”

A review on α-glucosidase inhibitory activity of first row transition metal complexes: a futuristic strategy for treatment of type 2 diabetes

“…It should be considered that complex 105 also coordinated to water and isothiocyanate ligands, however, both 104 and 105 showed no inhibitory activity (IC 50 > 600 μM). Increase of the number of water as a ligand in the complex 106 ( Table 5 , entry 6), 64 with similar geometry led to higher inhibitory activity (IC 50 = 164.87 μM) 62 which is probably related to the formation of H-bonding interaction of water with the enzyme.…”

“…Avcı et al reported anti-α-glucosidase activity two Fe( iii ) complexes (102 64 and 103, 62 Table 5 , entries 2 and 3) having three 6-methylpicolinic acid ligand (L11, Table 2 , entry 1) and 4,4′-dimethyl-2,2′-bipyridyl (L12, Table 2 , entry 1) with a distorted octahedral geometry. The IC 50 values of complexes were calculated as 446.2 and 492.3 μM, respectively, compared with genistein (IC 50 = 16.575 μM).…”

“…Avcı et al synthesized vanadyl complexes 122 ( Table 6 , entry 4) 62 and 123 ( Table 6 , entry 5) 84 for their α-glucosidase inhibitory activity comparing with genistein (IC 50 = 16.57 μM). Complex 122 coordinated to 6-methylpicolinic acid (L11, Table 2 , entry 1) and 4,4-dimethyl-2,2-bipyridyl (L12, Table 2 , entry 1).…”