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Title

Exploring in silico affinity of flavonoids and tannins to human fibroblast growth factor-inducible14 (Fn14), a member of TNF receptor super family

 

Authors

CVS Siva Prasad1 & Madhu Bala2*

 

Affiliation

1Division of Applied Science & IRCB, Indian Institute of Information Technology, Allahabad-211012, India; 2Radiation Biology Department, Institute of Nuclear Medicine and Allied Sciences, Brig. S K Mazumdar Marg, Delhi-110054, India

 

Email

bala44@gmail.com; *Corresponding author

 

Article Type

Hypothesis

 

Date

Received May 12, 2013; Accepted May 27, 2013; Published July 12, 2013

 

Abstract

The Fn14 and TWEAK are the receptor and ligand respectively and their mutual recognition and binding was reported to induce pathogenesis of cancer and chronic autoimmune diseases. We had identified Fn14 as a novel target of low linear energy transfer (LET) ionizing radiation in mice population. In the present study we generated the novel homology model of human Fn14, optimized its energy and validated for authenticity by checking Ramachandran plot and also by calculating the RMSD. Based on our earlier findings with Hippophae rhamnoides, a group of flavonoids and tannins were screened for their docking potential with Fn14 at the site where its natural ligand TWEAK was binding. The comparative docking analysis showed that the order of docking, from best to least, was Genistein, Rutin, Gallic acid ethyl ester and Quercetin, respectively. The findings predicted the radio-modifying action of flavonoids and tannins. The study has immediate applications in development of non-toxic drugs/ nutraceuticals that may protect human population from harmful effects of radiation in various situations, such as nuclear accidents, occupational exposure, diagnosis or radiotherapy.

 

Keywords

Hippophae rhamnoides, Genistein, Radiation, Rutin, Gallic acid Ethyl ester, Quercetin, TWEAK.

 

Citation

Prasad & Bala,   Bioinformation 9(12): 633-638 (2013)

 

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.