Abstract

IN SILICO DRUG DESIGNING STUDIES ON DENGUE NS5 PROTEIN

Sushmitha H. S. and *Balasubramanian Sathyamurthy

ABSTRACT

The key proteins involved in causing dengue are the three structural and five non-structural proteins, which can be considered as major therapeutic targets for dengue drug development. Recent studies have reported positively for NS5 protein in dysregulation of causing dengue process in humans. Dragon fruit seed phytochemicals are reported to have antioxidant and antiviral properties. In the present study we studied binding efficiency of 11 compounds that are present in the dragon fruit seeds with NS5 protein through Insilico methods. By our virtual screening and docking result, we found that the Compound C and Compound B have highest binding affinity with the NS5 protein and also we predicted the binding site amino acid residues and the nature of hydrogen bonding. However more invivo experimental validation of our results with animal models will enlighten the development of more potent drugs from these compounds for treatment of dengue.

Keywords: NS5 protein, Binding interaction, molecular docking, dengue.