Designing of eight-coordinate manganese(II) complexes as bio-active materials: Synthesis, X-ray crystal structures, spectroscopic, DFT, and molecular docking studies

Polyhedron(2023)

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摘要
New mononuclear manganese(II) complexes (with fascinating structure) as potent inhibitors for bacterial strains and enzymes like urease and α-glucosidase are designed. These compounds can sufficiently reduce the activity of enzymes through some stable interactions with the functional residues in the active pockets. They can be considered as promising drug candidates for further structural optimizations and drug designing studies.
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关键词
complexes,molecular docking,crystal structures,eight-coordinate,bio-active,x-ray
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