IN SILICO DRUG DESIGNING STUDIES ON DENGUE VIRUS NS2A TRANS-MEMBRANE DOMAIN
Sushmitha H. S., *Balasubramanian Sathyamurthy
ABSTRACT
The key proteins involved in causing dengue are the seven proteins, both structural and non-structural, which are considered as the major therapeutic targets for development of drugs against dengue. Recent studies have reported positively for NS2A trans-membrane domain 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 NS2A trans-membrane domain through Insilico methods. By our virtual screening and docking result, we found that the Compound D has the highest binding affinity with the NS2A trans-membrane domain 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.
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