Synthesis, crystal structure, evaluation of urease inhibition potential and the docking studies of cobalt (III) complex based on barbituric acid Schiff base ligand
Synthesis, crystal structure, evaluation of urease inhibition potential and the docking studies of cobalt (III) complex based on barbituric acid Schiff base ligand
The discovery of metal-based complexes as potent urease inhibitor is a challenge. In this work, the new [CoL2]NO3 complex of the barbituric acid based ligand, 5-((benzylamino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (HL) was synthesized. The structural features of the synthesized Co(III) complex were assigned using the single crystal X-ray diffraction techniques, Hirshfeld analysis, DFT calculations and other physicochemical techniques. Its structure comprised CoN4O2 coordination sphere with two ligands units (L¯) as mononegative tridentate NNO-donor ligand. The potency as urease inhibitor was evaluated in vitro. The [CoL2]NO3 complex (IC50 = 16.0 ± 0.54 µM) is better inhibitor than the drug acetohydroxamic acid as a reference (IC50 = 20.3 ± 0.43 µM). The docking studies of the [CoL2]NO3 was carried out using the active center of Jack Bean Urease (PDB 4GY7), and the resulting poses were analyzed visually to understand the interaction pattern.
Li3V2(PO4)3 (LVP) stands out as a promising cathode material due to its higher operating voltage and theoretical capacity, effectively addressing continuous demands. At elevated operating voltages…
C13H14N2O3S, monoclinic, C2/c (no. 15), a = 27.9910(12) Å, b = 6.5721(3) Å, c = 14.2821(7) Å, β = 92.600(3)°, V = 2624.6(2) Å3 , Z = 8, Rgt(F) = 0.042, wRref(F 2 ) = 0.105, T = 100 K. CCDC no.:…
The discovery of metal-based complexes as potent urease inhibitor is a challenge.