Molecular docking study on the interaction between trypanothione reductase and mangiferin for antileishmanial activity

Authors

  • Gundampati Ravi Kumar Molecular Biology Unit, Institute of Medical Sciences, Banaras Hindu University, Varanasi 221005, Uttar Pradesh
  • Sambamurthy Chandrasekaran Department of Animal Sciences, University of Hyderabad, Prof C.R. Rao Road, Gachibowli 500046, Hyderabad, AP
  • Medicherla V. Jagannadham Molecular Biology Unit, Institute of Medical Sciences, Banaras Hindu University, Varanasi 221005, Uttar Pradesh

DOI:

https://doi.org/10.3329/bjp.v8i1.13034

Keywords:

Antileishmanial, Autodock, Leishmania infantum, Mangiferin, Trypanothione reductase

Abstract

Mangiferin was found to bind at active site of Leishmania infantum Try R with lowest binding energy and RMSD values to be -9.16 Kcal/Mol and 1.98 respectively. Docking analysis of Try R with ligand enabled us to identify specific residues viz. Phe-203, Glu-202, Asp-218, Pro-336, Try-221 and Phe-270, within the Try R binding pocket to play an important role in ligand binding affinity. The availability of Try R built model, together with insights gained from docking analysis will promote the rational design of potent and selective Try R inhibitor as antileishmanial therapeutic. The study contributes towards understanding mechanism of antileshmanial effect of the mangiferin. We have surveyed the available literature to summarize the inhibition of Try R activity of this natural compound. Thus on the basis of our in silico studies we hypothesize that this compound into mangiferin can be inhibitory effect on against leishmaniasis.

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References

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Published

2012-12-31

How to Cite

Ravi Kumar, G., S. Chandrasekaran, and M. V. Jagannadham. “Molecular Docking Study on the Interaction Between Trypanothione Reductase and Mangiferin for Antileishmanial Activity”. Bangladesh Journal of Pharmacology, vol. 8, no. 1, Dec. 2012, pp. 40-43, doi:10.3329/bjp.v8i1.13034.

Issue

Vol. 8 No. 1 (2013)

Section

Research Articles

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