Tryparedoxin peroxidase of <i>Leishmania braziliensis</i>: homology modeling and inhibitory effects of flavonoids for anti-leishmanial activity

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Title	Tryparedoxin peroxidase of Leishmania braziliensis: homology modeling and inhibitory effects of flavonoids for anti-leishmanial activity
Authors	Ravi Kumar Gundampati¹, Shraddha Sahu², Ankita Shukla¹, Rajesh Kumar Pandey¹, Monika Patel¹, Rathindra Mohan Banik² & Medicherla Venkata Jagannadham¹
Affiliation	¹Molecular Biology Unit, Institute of Medical Sciences, Banaras Hindu University, Varanasi-221005, India; ²School of Biochemical Engineering, Indian Institute of Technology (BHU), Varanasi-221005, India
Email	gundampati.rk80@gmail.com,jaganmv@gmail.com ; *Corresponding authors
Article Type	Hypothesis
Date	Received April 22, 2014; Accepted May 04, 2014; Published June 30, 2014
Abstract	Inhibition of the Tryparedoxin peroxidase interaction has been becomes a new therapeutic strategy in leishmaniasis. Docking analysis was carried out to study the effects of quercetin and taxifolin on Tryparedoxin Peroxidase (TryP). Tryparedoxin peroxidase of Trypanosomatidae functions as antioxidants through their Peroxidase and peroxynitrite reductase activities. The 3D models of Tryparedoxin Peroxidase of Leishmania braziliensis (L. braziliensis TryP) was modeled using the template Tryparedoxin Peroxidase I from Leishmania Major (L. Major TryPI) (PDB ID: 3TUE). Further, we evaluated for TryP inhibitory activity of flavonoids such as quercetin and taxifolin using in silico docking studies. Docking results showed the binding energies of -11.8601and -8.0851 for that quercetin and taxifolin respectively. Flavonoids contributed better L. braziliensis TryP inhibitory activity because of its structural parameters. Thus, from our in silico studies we identify that quercetin and taxifolin posses anti-leishmanial acitivities mediated through TryP inhibition mechanism.
Keywords	Leishmania braziliensis, Tryparedoxin Peroxidase, homology modeling, Quercetin, Taxifolin.
Citation	*Gundampati et al.* Bioinformation 10(6): 353-357 (2014)
Edited by	P Kangueane
ISSN	0973-2063
Publisher	Biomedical Informatics
License	This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.