In silico screening of small molecule modulators of Zika virus proteins

Zika virus (ZIKV) has recently infected around 2 million people around the world and presently there is no USFDA approved drug in the market. In the present study, molecular docking analysis of two essential non-structural proteins NS2B/NS3 protease and NS3 helicase, which are involved in viral replication, has been reported. Identification of potential inhibitors could be considered as a strategy for treatment of the ZIKV infection. Using structure based drug design, docking of 1, 15,203 compounds were performed for both the proteins and 10 ligands were identified for each protein, which may serve as potential inhibitors. These molecules can further be validated in experimental studies.