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Virtual Journal for Biomedical Optics

Virtual Journal for Biomedical Optics

| EXPLORING THE INTERFACE OF LIGHT AND BIOMEDICINE

  • Editors: Andrew Dunn and Anthony Durkin
  • Vol. 7, Iss. 9 — Aug. 28, 2012

Insights into the Binding of 2-Aminobenzothiazole with Human Serum Albumin (HSA): Spectroscopic Investigation and Molecular Modeling Studies

Yajing Sun, Baoling Su, Qifei Xu, and Rutao Liu

Applied Spectroscopy, Vol. 66, Issue 7, pp. 791-797 (2012)


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Abstract

As one of the important thiazole derivatives, 2-aminobenzothiazole (2-ABT) has been widely used as a structural unit in the synthesis of anti-oxidants, anti-inflammatories, herbicides, antibiotics, and thermoplastic polymers. In this study, the interaction of 2-ABT with human serum albumin (HSA) was investigated in vitro under simulated physiological conditions, using multi-spectroscopic techniques and a molecular modeling study. The binding constant and binding sites were determined through fluorescence quenching spectra. The site-competitive replacement experiments revealed that the precise binding site of 2-ABT on HSA was site II (subdomain IIIA). Moreover, molecular docking results illustrated the electrostatic interaction between Glu 450 and 2-ABT, in accordance with the conclusions from the calculated thermodynamic parameters and the effect of ionic strength. The effect of 2-ABT on the conformational changes of HSA were evaluated by ultraviolet-visible (UV-Vis) absorption, three-dimensional (3D) fluorescence, synchronous fluorescence, and circular dichroism (CD) spectroscopy. This work facilitates comprehensive understanding of the binding of 2-ABT with HSA, contributing to evaluate the molecular transportation mechanism and biotoxicity of 2-aminobenzothiazole derivatives in vivo.

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Vol. 7, Iss. 9 Virtual Journal for Biomedical Optics

Citation
Yajing Sun, Baoling Su, Qifei Xu, and Rutao Liu, "Insights into the Binding of 2-Aminobenzothiazole with Human Serum Albumin (HSA): Spectroscopic Investigation and Molecular Modeling Studies," Appl. Spectrosc. 66, 791-797 (2012)
http://www.opticsinfobase.org/vjbo/abstract.cfm?URI=as-66-7-791


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