4. Conclusions
Using spectroscopy, isothermal titration calorimetry and molecular
docking methods, this work establishes a strategy to investigate
the binding mechanisms of chrysoidine at the molecular
level, which will help us apprehend the human health risks caused
by chrysoidine exposure. Since the binding stoichiometry of chrysoidine
to BSA is 1:15.5 and sudlow site I in domain IIA is identified
as the most possible binding site for chrysoidine, the biological effects
of chrysoidine in human deserve to be given more attention,
and its use should be limited according to the legal regulations. The
methods used in this paper could also be applied to explore the
molecular mechanisms of other organic pollutants toxicity.
Conflict of Interest
The authors declare that there are no conflicts of interest.
Transparency document associated with this article can be
found, in the online version, at http://dx.doi.org/10.1016/j.fct.
2013.12.047.
Acknowledgements
This work is supported by NSFC (21277081), the Cultivation
Fund of the Key Scientific and Technical Innovation Project,
Ministry of Education of China (708058). Independent innovation
program of Jinan (201202083) and Independent innovation
foundation of Shandong University natural science projects
(2012DX002) are also acknowledged. The authors thank the
Theoretical Chemistry Institute of Shandong University for helping
with the quantum chemical calculations. We sincerely thank
reviewers for constructive suggestions to enhance the quality of
the article.
4. ConclusionsUsing spectroscopy, isothermal titration calorimetry and moleculardocking methods, this work establishes a strategy to investigatethe binding mechanisms of chrysoidine at the molecularlevel, which will help us apprehend the human health risks causedby chrysoidine exposure. Since the binding stoichiometry of chrysoidineto BSA is 1:15.5 and sudlow site I in domain IIA is identifiedas the most possible binding site for chrysoidine, the biological effectsof chrysoidine in human deserve to be given more attention,and its use should be limited according to the legal regulations. Themethods used in this paper could also be applied to explore themolecular mechanisms of other organic pollutants toxicity.Conflict of InterestThe authors declare that there are no conflicts of interest.Transparency document associated with this article can befound, in the online version, at http://dx.doi.org/10.1016/j.fct.2013.12.047.AcknowledgementsThis work is supported by NSFC (21277081), the CultivationFund of the Key Scientific and Technical Innovation Project,Ministry of Education of China (708058). Independent innovationprogram of Jinan (201202083) and Independent innovationfoundation of Shandong University natural science projects(2012DX002) are also acknowledged. The authors thank theTheoretical Chemistry Institute of Shandong University for helpingwith the quantum chemical calculations. We sincerely thankreviewers for constructive suggestions to enhance the quality ofthe article.
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