期刊
INORGANICA CHIMICA ACTA
卷 503, 期 -, 页码 -出版社
ELSEVIER SCIENCE SA
DOI: 10.1016/j.ica.2019.119405
关键词
Cobalt(III) complex; Schiff base; Barbituric; Urease inhibitory; Jack bean urease
资金
- King Saud University, Riyadh, Saudi Arabia [RSP-2019/64]
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-dimethylpyrimidine2,4,6(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 mu M) is better inhibitor than the drug acetohydroxamic acid as a reference (IC50 = 20.3 +/- 0.43 mu M). 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.
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