Journal of inorganic biochemistry, 2019-09, Vol.198, p.110750-110750, Article 110750
2019
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- Autor(en) / Beteiligte
- Titel
- Bi- and trinuclear copper(I) compounds of 2,2,5,5-tetramethyl-imidazolidine-4-thione and 1,2-bis(diphenylphosphano)ethane: Synthesis, crystal structures, in vitro and in silico study of antibacterial activity and interaction with DNA and albumins
- Ist Teil von
- Journal of inorganic biochemistry, 2019-09, Vol.198, p.110750-110750, Article 110750
- Ort / Verlag
- United States: Elsevier Inc
- Erscheinungsjahr
- 2019
- Quelle
- Access via ScienceDirect (Elsevier)
- Beschreibungen/Notizen
- Herein we report on the synthesis, molecular structures, DNA-binding properties and antibacterial activity of four new copper(I) mixed-ligand complexes obtained by reacting copper(I) halides or [Cu(CH3CN)4](BF4) with 1,2-bis(diphenylphosphano)ethane (dppe) and 2,2,5,5-tetramethylimidazolidine-4-thione (tmimdtH). Depending on the nature of the halide, the resulting compounds adopt two different structural motifs. Thus, using CuCl or CuBr, doubly dppe-bridged symmetrical dimmers of type [(κ-S-tmimdtH)XCu(μ-dppe)2CuX(κ-S-tmimdtH)] are formed, while in the case of CuI, a rare example of a trinuclear complex was isolated, in which the Cu atom of a CuI(tmimdtH) moiety is linked by two bridging dppe units with the two Cu atoms of a cluster-type Cu2I2(dppe) core. On the other hand, [Cu(CH3CN)4](BF4) reacts with the anion of tmimdtH in the presence of dppe to form a binuclear complex consisting of two (dppe)Cu(tmimdt) units linked together by the P atoms of a dppe bridging ligand. The complexes show significant in vitro antibacterial activity against certain bacterial strains. An intercalative mode is suggested as the most probable interaction fashion of the compounds with calf-thymus (CT) DNA, monitored directly via UV–vis spectroscopy, DNA-viscosity measurements and indirectly via their competition with ethidium bromide for DNA as studied by fluorescence emission spectroscopy. The binding of the complexes to human (HSA) and bovine serum albumin (BSA) is tight. In order to explain the described in vitro activity of the compounds, we adopted molecular docking studies on the crystal structure of HSA, BSA, CT DNA and DNA-gyrase. The characterization and the in vitro and in silico biological activity studies of four mixed-ligand copper(I) complexes are reported. [Display omitted] •Copper(I) complexes with 2,2,5,5-tetramethyl-imidazolidine-4-thione•Significant in vitro antibacterial activity against certain bacterial strains•Intercalation is the most probable DNA-interaction fashion.•The complexes bind tightly to albumins.•Human and bovine serum albumin, calf thymus DNA and DNA-gyrase molecular docking studies
- Sprache
- Englisch
- Identifikatoren
- ISSN: 0162-0134eISSN: 1873-3344DOI: 10.1016/j.jinorgbio.2019.110750Titel-ID: cdi_proquest_miscellaneous_2243494927
- Format
- –
- Schlagworte
- 2,2,5,5-tetramethylimidazolidine-4-thione, Animals, Anti-Bacterial Agents - chemical synthesis, Anti-Bacterial Agents - metabolism, Anti-Bacterial Agents - pharmacology, Antibacterial activity, Bacillus subtilis - drug effects, Binding with albumins, Cattle, Coordination Complexes - chemical synthesis, Coordination Complexes - metabolism, Coordination Complexes - pharmacology, Copper - chemistry, Copper(I), DNA - metabolism, DNA Gyrase - metabolism, Escherichia coli - drug effects, Humans, Imidazoles - chemical synthesis, Imidazoles - metabolism, Imidazoles - pharmacology, In silico molecular docking, Interaction with DNA, Intercalating Agents - chemical synthesis, Intercalating Agents - metabolism, Intercalating Agents - pharmacology, Microbial Sensitivity Tests, Molecular Docking Simulation, Organophosphorus Compounds - chemical synthesis, Organophosphorus Compounds - metabolism, Organophosphorus Compounds - pharmacology, Protein Binding - drug effects, Serum Albumin - metabolism, Serum Albumin, Bovine - metabolism, Serum Albumin, Human - metabolism, Staphylococcus aureus - drug effects, Xanthomonas campestris - drug effects