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  • ISSN 1674-8301
  • CN 32-1810/R
Volume 30 Issue 1
Dec.  2015
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Salam Pradeep Singh, Chitta Ranjan Deb, Sharif Udin Ahmed, Yenisetti Saratchandra, Bolin Kumar Konwar. Molecular docking simulation analysis of the interaction of dietary flavonols with heat shock protein 90[J]. The Journal of Biomedical Research, 2016, 30(1): 67-74. DOI: 10.7555/JBR.30.20130158
Citation: Salam Pradeep Singh, Chitta Ranjan Deb, Sharif Udin Ahmed, Yenisetti Saratchandra, Bolin Kumar Konwar. Molecular docking simulation analysis of the interaction of dietary flavonols with heat shock protein 90[J]. The Journal of Biomedical Research, 2016, 30(1): 67-74. DOI: 10.7555/JBR.30.20130158
shu

Molecular docking simulation analysis of the interaction of dietary flavonols with heat shock protein 90

  • 1.

    Bioinformatics Infrastructure Facility Centre, Tezpur University, Tezpur-784028, Assam, India

  • 2.

    Department of Botany, Nagaland University, Lumami 798627, Nagaland, India

  • 3.

    Department of Zoology, Nagaland University, Lumami 798627, Nagaland, India

  • 4.

    Department of Molecular Biology and Biotechnology, Tezpur University, Tezpur-784028, Assam, India

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  • Received Date: November 28, 2013
  • Revised Date: January 01, 2014
    Graphical Abstract
    • Abstract
  • Hsp90 is a major protein involved in the stabilization of various proteins in cancer cells. The present investigation focused on the molecular docking simulation studies of flavanols as inhibitors of Hsp90 at the high affinity adenosine triphosphate (ATP) binding site and analyzed absorption, distribution, metabolism, excretion and toxicity(ADME-toxicity). The molecular docking analysis revealed that the flavanols showed competitive inhibition with ATP molecule at the active site and enhanced pharmacological parameters.
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