Computational screening of medicinal plant phytochemicals to discover potent pan-serotype inhibitors against dengue virus.

ABSTRACT: Emergence of Dengue as one of the deadliest viral diseases prompts the need for development of effective therapeutic agents. Dengue virus (DV) exists in four different serotypes and infection caused by one serotype predisposes its host to another DV serotype heterotypic re-infection. We undertook virtual ligand screening (VLS) to filter compounds against DV that may inhibit inclusively all of its serotypes. Conserved non-structural DV protein targets such as NS1, NS3/NS2B and NS5, which play crucial role in viral replication, infection cycle and host interaction, were selected for screening of vital antiviral drug leads. A dataset of plant based natural antiviral derivatives was developed. Molecular docking was performed to estimate the spatial affinity of target compounds for the active s

SUBMITTER: Tahir Ul Qamar M 

PROVIDER: S-EPMC6363786 | biostudies-literature | 2019 Feb

REPOSITORIES: biostudies-literature