The binding modes of cationic porphyrin-anthraquinone hybrids to DNA duplexes:in silicostudy

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The binding modes of cationic porphyrin-anthraquinone hybrids to DNA duplexes: in silico study.

Cationic porphyrin-anthraquinone hybrids bearing peripheral substituents, either pyridine, imidazole, or pyrazole rings have been investigated for their binding mode to DNA duplexes. The four kinds of DNA duplexes were used, which represent intercalation and groove binding modes. AutoDock 4.2 was used to dock nine hybrid compounds to four DNA duplexes, while monitoring of conformational changes...

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Recognition of unusual left-handed Z-DNA by specific binding of small molecules is crucial for understanding biological functions in which this particular structure participates. Recent investigations indicate that zinc cationic porphyrin (ZnTMPyP4) is promising as a probe for recognizing Z-DNA due to its characteristic chiroptical properties upon binding with Z-DNA. However, binding mechanisms...

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ژورنال

عنوان ژورنال: Journal of Biomolecular Structure and Dynamics

سال: 2014

ISSN: 0739-1102,1538-0254

DOI: 10.1080/07391102.2014.887480