Background
Type: Article

The piroxicam complex of cobalt(II): Synthesis in two different ionic liquids, structure, DNA- and BSA interaction and molecular modeling

Journal: Inorganica Chimica Acta (18733255)Year: 2014Volume: 409Issue: Pages: 379 - 389
Darabi F. Hadadzadeh H. Ebrahimi M. Khayamian T.Amiri Rudbari H.a
DOI:10.1016/j.ica.2013.09.035Language: English

Abstract

The mononuclear Co(II) complex, trans-[Co(Pir)2(DMF) 2], where Pir is piroxicam, has been prepared in two different ionic liquids and fully characterized. The interaction of the complex with CT-DNA and BSA has been monitored using different analytical methods. The results have indicated that the complex binds to CT-DNA by a groove mode and also a partial insertion of a Pir ligand between the base stacks of DNA. The molecular docking of the complex with DNA has revealed that the complex can fit into the major groove and is stabilized by intermolecular hydrogen bonding and hydrophobic interactions. The results have also shown a moderate binding propensity of the complex to BSA. The molecular modeling has indicated that the binding mode of the complex to BSA is of hydrophobic and hydrogen bond interactions. © 2013 Elsevier B.V. All rights reserved.


Author Keywords

BSACobaltDNAMolecular modelingPiroxicamX-ray crystallography

Other Keywords

Binding energyCobaltDNAHydrogen bondsHydrophobicityIonic liquidsMolecular modelingPyridineX ray crystallographyAnalytical methodBase stacksBinding modesHydrogen bond interactionHydrophobic interactionsIntermolecular hydrogen bondingMolecular dockingPiroxicamCobalt compounds