Pharmacophore-Model-Based Drug Repurposing for the Identification of the Potential Inhibitors Targeting the Allosteric Site in Dengue Virus NS5 RNA-Dependent RNA Polymerase.

ABSTRACT: Dengue virus (DENV) is the causative agent of DENV infection. To tackle DENV infection, the development of therapeutic molecules as direct-acting antivirals (DAAs) has been demonstrated as a truly effective approach. Among various DENV drug targets, non-structural protein 5 (NS5)-a highly conserved protein among the family Flaviviridae-carries the RNA-dependent RNA polymerase (DENV^RdRp) domain at the C-terminal, and its "N-pocket" allosteric site is widely considered for anti-DENV drug development. Therefore, in this study, we developed a pharmacophore model by utilising 41 known inhibitors of the DENV^RdRp domain, and performed model screening against the FDA's approved drug database for drug repurposing against DENV^RdRp. Herein, drugs complying with the ph

SUBMITTER: Kumar S 

PROVIDER: S-EPMC9412353 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature