Abstract
IN SILICO DRUG DESIGNING STUDIES ON DENGUE VIRUS NS3 HELICASE

Sushmitha H. S. and *Balasubramanian Sathyamurthy

ABSTRACT

The key protein involved in causing dengue is NS3 helicase, which is considered as major therapeutic target for dengue drug development. Recent studies have reported positively for NS3 helicase 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 NS3 helicase through Insilico methods. By our virtual screening and docking result, we found that the Compound A, Compound C and Compound B have the highest binding affinity with the NS3 helicase 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: NS3 helicase, Binding interaction, molecular docking, dengue.


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