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Study of interaction of human serum albumin with curcumin by NMR and docking

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Abstract

Curcumin has been reported to be therapeutically active but has poor bioavailability, half life, and high rate of metabolic detoxifcation. Most of the hydrophobic and acidic drugs get transported through human serum albumin (HSA). Binding of drugs to serum protein increases their half-life. The present study is focused to analyze interaction of curcumin with HSA by NMR and docking studies. In order to investigate the binding affinity of curcumin with HSA, NMR based diffusion techniques and docking study have been carried out. We report that curcumin has shown comparable binding affinity value vis-a-vis standard, the accessible surface area (ASA) of human serum albumin (uncomplexed) and its docked complex with curcumin at both binding sites was calculated and found to be close to that of warfarin and diazepam respectively. Conclusion drawn from our study demonstrates that curcumin interacts with HSA strongly thereby its poor half life is due to high rate of its metabolic detoxification as reported in literature.

In diffusion NOE process the signals of small molecules remain (tryptophan and curcumin) which interact with macromolecules. However, the signals of molecules which do not interact disappear. This indicates curcumin and tryptophan molecule bind with human serum albumin

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Acknowledgments

One of the authors (DVS) is grateful to Prof. CL Khetrapal (Director CBMR) for providing the NMR facility for the completion of this work. DVS is also thankful to CSIR for providing senior research fellowship.

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Author notes

  1. Durg Vijay Singh

    Present address: Deparment of Bioinformatics, Central University of Bihar Patna BITS Campus, Patna, India

Authors and Affiliations

  1. Indian Institute of Information Technology, Allahabad, 211012, India

    Durg Vijay Singh & Shikha Agarwal

  2. Centre of Biomedical Research, Raebareli Road, Lucknow, 226 014, India

    Santosh Kumar Bharti, Raja Roy & Krishna Misra

Authors
  1. Durg Vijay Singh
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  2. Santosh Kumar Bharti
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  3. Shikha Agarwal
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  5. Krishna Misra
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Corresponding author

Correspondence to Krishna Misra.

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Singh, D.V., Bharti, S.K., Agarwal, S. et al. Study of interaction of human serum albumin with curcumin by NMR and docking. J Mol Model 20, 2365 (2014). https://doi.org/10.1007/s00894-014-2365-7

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