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Characterization of Thymoquinone Binding to Human α1-Acid Glycoprotein
Characterization of Thymoquinone Binding to Human α1-Acid Glycoprotein
- Source :
- Journal of Pharmaceutical Sciences. 101:2564-2573
- Publication Year :
- 2012
- Publisher :
- Elsevier BV, 2012.
-
Abstract
- Thymoquinone (TQ) is the main bioactive component isolated from Nigella sativa essential oil and seeds and has been used for the treatment of inflammations, liver disorders, arthritis, and is of great importance as a promising therapeutic drug for different diseases including cancer. This paper reports the first experimental evidence on binding of TQ to human α(1)-acid glycoprotein (AGP), an important drug-binding glycoprotein in human plasma, which affects pharmacokinetic properties of various therapeutic agents. The interaction of TQ with AGP has been characterized by Fourier transform infrared (FTIR) and fluorescence spectroscopy, as well as by molecular docking experiments. FTIR spectroscopy showed that the binding of TQ to AGP slightly increases its thermal stability and shifts the existence of a molten globule-like state observed in a previous study to higher temperature. The binding constants K(a); the number of binding sites n; and the corresponding thermodynamic parameters ΔG, ΔH, and ΔS at different temperatures were calculated through fluorescence spectroscopy. Fluorescence quenching experiments indicated that TQ binding involves hydrophobic interactions and to a lower extent hydrogen bonds, in agreement with molecular docking experiments. The data on binding ability of TQ to AGP represent basic information for the TQ pharmacokinetics such as drug metabolism and distribution in the body.
- Subjects :
- biology
Molecular model
Chemistry
Stereochemistry
Hydrogen bond
thymoquinone
Molecular modeling
Pharmaceutical Science
Orosomucoid
drug interactions
Plasma protein binding
alpha 1-acid glycoprotein
Fluorescence spectroscopy
Hydrophobic effect
FTIR
chemistry.chemical_compound
biology.protein
Binding site
Thymoquinone
Subjects
Details
- ISSN :
- 00223549
- Volume :
- 101
- Database :
- OpenAIRE
- Journal :
- Journal of Pharmaceutical Sciences
- Accession number :
- edsair.doi.dedup.....0f0535fbd006a7e1856ba5b1d889fa2a
- Full Text :
- https://doi.org/10.1002/jps.23138