Could 2,6-bis((E)-2-(furan-2-yl)vinyl)-1-methylpyridinium iodide and analog compounds intercalate DNA? A first principle prediction based on structural and electronic properties

Article ID	Journal	Published Year	Pages	File Type
5394812	Computational and Theoretical Chemistry	2012	6 Pages	PDF

Abstract

âº We analyze structure and electronic properties of potential DNA intercalators. âº DFT calculations highlight a relation between structure and biological activity. âº Biological activity decrease when the molecules strongly deviate from planarity. âº Calculated binding energies are in agreement with the biological activity data.

Keywords

DNA intercalators DFT Binding energy Pyridinium salts

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

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Could 2,6-bis((E)-2-(furan-2-yl)vinyl)-1-methylpyridinium iodide and analog compounds intercalate DNA? A first principle prediction based on structural and electronic properties

Authors

Cosimo G. Fortuna, Giuseppe Forte, Valeria PittalÃ , Alessandro Giuffrida, Giuseppe Consiglio,