In silico screening of Chromeno-pyrano-oxazole derivatives as dengue virus protease inhibitors using CB-dock

Abstract

Dengue virus infection is globally a challenge, with extremely limited antiviral treatments available. Due to the important role of NS2B–NS3 protease in dengue viral replication, it is targeted for development of new antiviral entities. In current work, Chromeno-Pyrano-oxazole derivatives were evaluated as potential inhibitors using blind molecular docking through the CB-Dock web server. The docking results showed the binding interactions with His51 and Asp75 mainly suggesting that Chromeno-Pyrano-oxazole derivatives may serve as encouraging for developing dengue virus protease inhibitors.