17 research outputs found
Optical switching studies of an azobenzene rigidly linked to a hexa-peri-hexabenzocoronene derivative in solution and at a solid–liquid interface
Full text linkDynamic and fluorescent nanoscale phenanthroline/terpyridine zinc(II) ladders. Self-recognition in unlike ligand/like metal coordination scenarios
No full textSurface Immobilized Heteroleptic Copper Compounds as State Variables that Show Negative Differential Resistance
No full textNew Exo-Functional Cyclophane Hosts. Synthesis and Crystal Structures of Inclusion Compounds
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Highly Efficient Green Organic Light-Emitting Diodes Containing Luminescent Three-Coordinate Copper(I) Complexes
No full textDesign of Efficient Photoinduced Charge Separation in Donor–Copper(I)–Acceptor Triad
No full textSubmolecular Observation of Photosensitive Macrocycles and Their Isomerization Effects on Host−Guest Network
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Copper-1,10-phenanthroline complexes binding to DNA: structural predictions from molecular simulations
No full textCopper-1,10-phenanthroline (phen) complexes Cu(phen)(2), Cu(2-Clip-phen), and Cu(3-Clip-phen) (Clip = a serinol bridge between the phen parts) are typically employed as DNA-cleaving agents and are now becoming increasingly important for building multifunctional drugs with improved cytotoxic properties. For instance, Cu(3-Clip-phen) has been combined with distamycin-like minor-groove binders and cisplatin-derivatives, leading to promising results. Density Functional Theory (DFT) and docking calculations as well as molecular dynamics (MD) Simulations were performed to describe the mode of binding to DNA of these complexes. Our data suggest the minor-groove binding to be more probable than (partial) intercalation and major-groove binding. In addition, it was found that a combination of factors including planarity, van der Waals interactions with DNA, and structural complementarities may be the key for the cleavage efficiency of these copper complexes
