In silico modeling of ligand molecule for non structural 3 (NS3) protein target of flaviviruses.

ABSTRACT:

Unlabelled

Flaviviruses are small, enveloped RNA viruses which cause a variety of diseases into animals and man. Despite the existence of licensed vaccines, yellow fever, Japanese encephalitis and tick-borne encephalitis also claim many thousands of victims each year across their vast endemic areas. A number of studies have already revealed that the non-structural NS3 serine protease is required for the maturation of the viral polyprotein and thus is a promising target for the development of antiviral inhibitors. Hence, the 3D structure of NS3 protein was modeled using homology modeling by MODELLER 9v7. Validation of the constructed NS3 protein models were done by PROCHECK, VERYFY3D and through ProSA calculations. Ligands for the catalytic triad (H51, D75, and S135) were designed u

SUBMITTER: Agnihotri S 

PROVIDER: S-EPMC3283883 | biostudies-literature | 2012

REPOSITORIES: biostudies-literature