Abstract
Four new compounds, {[Zn(μ-DPP)(DBM)2].2MeOH}n (1), {[Zn(μ-Pyrazine)(DBM)2]}n (2), [Zn(PHEN)(DBM)2] (3) and [Zn(2,2′-BPY)(DBM)(CH3COO)] (4) (DPP: 1,3-di(4-pyridyl)propane, HDBM: dibenzoylmethanato, PHEN: 1,10-phenanthrolin, 2,2′-BPY: 2,2′-bipyridine), were prepared and identified by elemental analysis, FT-IR and 1H NMR spectroscopy and single-crystal X-ray diffraction. In addition, the thermal stability of the compounds was evaluated by thermogravimetric analysis (TGA and DTA). The complexes 1 and 2 form 1D coordination polymers whereas 3 and 4 adopt a mononuclear structure. In these structures, the zinc atoms have octahedral (1–3) and square-pyramidal (4) geometries. The charge distribution pattern of the complexes 3 and 4 and their ligands was studied by NBO analysis and their ability to interact with ten biomacromolecules (BRAF kinase, CatB, DNA gyrase, HDAC7, rHA, RNR, TrxR, TS, Top II and B-DNA) is investigated by docking calculations.
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