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Probing deep into the interaction of a fluorescent chalcone derivative and bovine serum albumin (BSA): an experimental and computational study.


Org Biomol Chem. 2013 May 16;


Authors: Alvim HG, Fagg EL, de Oliveira AL, de Oliveira HC, Freitas SM, Xavier MA, Soares TA, Gomes AF, Gozzo FC, Silva WA, Neto BA


Abstract

In the present manuscript, a novel fluorescent chalcone derivative is synthesized and its photophysical properties are fully characterized. The designed fluorophore is applied as a probe to study protein-dye interactions with bovine serum albumin. Circular dichroism gave interesting results on the thermodynamics of the interaction. NMR spectroscopy, especially relaxation measurements, revealed the atoms in the chalcone derivative that interacts with the protein upon binding. Molecular docking calculations indicate that the most favourable binding sites are near the two tryptophan residues. Furthermore, ab initio and DFT calculations offer insights into the reactivity and physicochemical properties of this novel fluorophore.

PMID: 23680860 [PubMed - as supplied by publisher]