Exploring in silico affinity of flavonoids and tannins to human fibroblast growth factorinducible14 (Fn14), a member of TNF receptor super family.

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 radiomodifying 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.