In silico analysis of natural compounds targeting structural and nonstructural proteins of chikungunya virus.

ABSTRACT: Background: Chikungunya fever presents as a high-grade fever during its acute febrile phase and can be prolonged for months as chronic arthritis in affected individuals. Currently, there are no effective drugs or vaccines against this virus. The present study was undertaken to evaluate protein-ligand interactions of all chikungunya virus (CHIKV) proteins with natural compounds from a MolBase library in order to identify potential inhibitors of CHIKV. Methods: Virtual screening of the natural compound library against four non-structural and five structural proteins of CHIKV was performed. Homology models of the viral proteins with unknown structures were created and energy minimized by molecular dynamic simulations. Molecular docking was performed to identify the potential inh

SUBMITTER: Jain J 

PROVIDER: S-EPMC5747330 | biostudies-literature | 2017

REPOSITORIES: biostudies-literature