A combined crystallographic, spectroscopic, antimicrobial, and computational study of novel dipicolinate copper(II) complex with 2-(2-hydroxyethyl)pyridine

Synthesis and characterization of a proton transfer salt between 2,6-pyridinedicarboxylic acid and 2-aminobenzothiazole, and its complexes and their inhibition studies on carbonic anhydrase isoenzymes

“…Two N atoms from two different ligands, dipic and ABT, occupy equatorial positions with Cu-N distances of 1.917(2) and 1.981(2) Å for Cu-N1 and Cu-N2, respectively, and the bond distances are similar to those found in other related Cu(II) complexes [57][58][59] . The Cu-O bond distances [Cu1-O1 ¼ 2.033(2) and Cu1-O4 ¼ 2.047(2) Å ], observed from the carboxylate coordination to the center metal ion, are well consistent with those observed in the literature data [57][58][59] . The coordination arrangement is characterized by an N1-Cu1-N2 equatorial angle which is 162.79(10) Å .…”

Synthesis of the first mixed ligand Mn (II) and Cd (II) complexes of 4‐methoxy‐pyridine‐2‐carboxylic acid, molecular docking studies and investigation of their anti‐tumor effects in vitro

“…Five‐membered chelate rings have been formed by the coordination of 4mpic as a two dentate ligand to the central Mn (II) and Cd (II) ions through the carboxylate group O atom and the pyridine ring N atom. These multidentate coordination modes for pyridinecarboxylic acid derivates are quite common for transition metal complexes in bioactive site . The participation of dmbpy ligand to the central coordination through two N atoms leads to form a distorted octahedral geometry centered by six‐coordinated Mn (II) and Cd (II) ions.…”

“…4-methoxy-pyridine-2-carboxylic (4-mpic) acid and 4,4 0dimethyl-2,2 0 -bipyridine (dmbpy), Mn (CH 3 CO 2 ) 2 and Cd (CH 3 CO 2 ) 2 were bought from Sigma-Aldrich Company, St. Louis, Missouri, USA. All other reagents and solvents were purchased from commercial sources and used without further purification.…”

Integrated Approach to Structure-Based Enzymatic Drug Design: Molecular Modeling, Spectroscopy, and Experimental Bioactivity

“…837 Even though they used this combined approach, they did not correlate any specific calculated quantity or characteristic spectroscopic measurement with the observed bioactivities.…”