Novel Ni(II) Complexes as Minor Groove Binders: Crystal Structures, Biomolecular Interactions, Molecular Docking, and Biological Activities
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DOI: 10.1002/aoc.7697
Abstract: A novel ternary Ni(II) complexes, [Ni(5Clsal‐phe)(phen)(H2O)] (1) and [Ni(5Clsal‐phe)(bpy)(H2O)]CH3OH (2), (Schiff base derived from the condensation of L‐phenylalanine and 5‐chlorosalicylaldehyde, phen: 1,10‐phenanthroline, bpy: 2,2′‐bipyridine) has been synthesized. The structure of the complexes was clarified by… read more here.
Keywords: molecular docking; spectroscopy; minor groove; interactions complexes ... See more keywords
Molecular interactions in the complexes of toluene with butyronitrile: A DFT approach
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DOI: 10.1016/j.molstruc.2017.12.092
Abstract: Abstract Density Functional Theory (DFT) has been employed to investigate the self association of butyronitrile and the heterointeractions in the 1:2 (toluene: butyronitrile) and 1:1 complexes of toluene with butyronitrile. For this investigation the B3LYP… read more here.
Keywords: complexes toluene; toluene butyronitrile; interactions complexes; molecular interactions ... See more keywords