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

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 antioxidant...

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Autores principales: Gundampati, Ravi Kumar, Sahu, Shraddha, Shukla, Ankita, Pandey, Rajesh Kumar, Patel, Monika, Banik, Rathindra Mohan, Jagannadham, Medicherla Venkata
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4110426/
https://www.ncbi.nlm.nih.gov/pubmed/25097378
http://dx.doi.org/10.6026/97320630010353
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author Gundampati, Ravi Kumar
Sahu, Shraddha
Shukla, Ankita
Pandey, Rajesh Kumar
Patel, Monika
Banik, Rathindra Mohan
Jagannadham, Medicherla Venkata
author_facet Gundampati, Ravi Kumar
Sahu, Shraddha
Shukla, Ankita
Pandey, Rajesh Kumar
Patel, Monika
Banik, Rathindra Mohan
Jagannadham, Medicherla Venkata
author_sort Gundampati, Ravi Kumar
collection PubMed
description 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.
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spelling pubmed-41104262014-08-05 Tryparedoxin peroxidase of Leishmania braziliensis: homology modeling and inhibitory effects of flavonoids for anti-leishmanial activity Gundampati, Ravi Kumar Sahu, Shraddha Shukla, Ankita Pandey, Rajesh Kumar Patel, Monika Banik, Rathindra Mohan Jagannadham, Medicherla Venkata Bioinformation Hypothesis 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. Biomedical Informatics 2014-06-30 /pmc/articles/PMC4110426/ /pubmed/25097378 http://dx.doi.org/10.6026/97320630010353 Text en © 2014 Biomedical Informatics This is an open-access article, which permits unrestricted use, distribution, and reproduction in any medium, for non-commercial purposes, provided the original author and source are credited.
spellingShingle Hypothesis
Gundampati, Ravi Kumar
Sahu, Shraddha
Shukla, Ankita
Pandey, Rajesh Kumar
Patel, Monika
Banik, Rathindra Mohan
Jagannadham, Medicherla Venkata
Tryparedoxin peroxidase of Leishmania braziliensis: homology modeling and inhibitory effects of flavonoids for anti-leishmanial activity
title Tryparedoxin peroxidase of Leishmania braziliensis: homology modeling and inhibitory effects of flavonoids for anti-leishmanial activity
title_full Tryparedoxin peroxidase of Leishmania braziliensis: homology modeling and inhibitory effects of flavonoids for anti-leishmanial activity
title_fullStr Tryparedoxin peroxidase of Leishmania braziliensis: homology modeling and inhibitory effects of flavonoids for anti-leishmanial activity
title_full_unstemmed Tryparedoxin peroxidase of Leishmania braziliensis: homology modeling and inhibitory effects of flavonoids for anti-leishmanial activity
title_short Tryparedoxin peroxidase of Leishmania braziliensis: homology modeling and inhibitory effects of flavonoids for anti-leishmanial activity
title_sort tryparedoxin peroxidase of leishmania braziliensis: homology modeling and inhibitory effects of flavonoids for anti-leishmanial activity
topic Hypothesis
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4110426/
https://www.ncbi.nlm.nih.gov/pubmed/25097378
http://dx.doi.org/10.6026/97320630010353
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