《Synthesis, DFT calculations and molecular docking study of mixed ligand metal complexes containing 4,4′-dimethyl-2,2′-bipyridyl as α-glucosidase inhibitors》 was written by Avci, Davut; Alturk, Sumeyye; Sonmez, Fatih; Tamer, Omer; Basoglu, Adil; Atalay, Yusuf; Kurt, Belma Zengin. HPLC of Formula: 1134-35-6This research focused ontransition metal dimethylbipyridyl methylpyridinecarboxylato complex preparation DFT glucosidase inhibitor. The article conveys some information:
Novel mixed ligand metal complexes including 4,4′-dimethyl-2,2′-bipyridyl (dmdpy) and 6-methylpyridine-2-carboxylic acid (6-mpaH) {[VO(6-mpa)(dmdpy)]·SO3, (1), [Fe(6-mpa)(dmdpy)(NO3)2]·NO3, (2), Ni(6-mpa)(dmdpy)Cl2, (3), [Zn(6-mpa)(dmdpy)Cl2]·H2O, (4), Cd(6-mpa)2(dmdpy), (5), [Hg(6-mpa)(dmdpy)(NO3)2]·H2O, (6)} were synthesized as potential α-glucosidase inhibitors. Their structural characterizations, vibrational and electronic spectral behaviors were investigated by elemental anal., LC-MS/MS, FTIR and UV-visible spectroscopic techniques. The inhibitory activities of these complexes against α-glucosidase (from Saccharomyces cerevisiae, EC No: 3.2.1.20) were determined The synthesized complexes 1-6 exhibited α-glucosidase inhibitory activity with the IC50 values ranging from 0.4699 to >600μM. Besides, d. functional theory (DFT) calculations in the mode of hybrid HSEh1PBE method with 6-311G(d,p) and LanL2DZ basis sets for optimal complex geometries were fulfilled to obtain the vibrational frequencies and electronic spectral behaviors as well as substantial contributions to the electronic transitions. Also, the mol. docking study was performed to examine protein-ligand interactions between the synthesized complexes (1-6) and target protein (the template structure S. cerevisiae isomaltase (PDBID: 3A4A)). In the experimental materials used by the author, we found 4,4′-Dimethyl-2,2′-bipyridine(cas: 1134-35-6HPLC of Formula: 1134-35-6)
4,4′-Dimethyl-2,2′-bipyridine(cas: 1134-35-6) is used in the synthesis of a series of o-phenanthroline-substituted ruthenium(II) complexes.HPLC of Formula: 1134-35-6 Furthermore, 4,4′-Dimethyl-2,2′-bipyridine is used as a chemical Intermediate. It can be used for the determination of ferrous and cyanide compounds.