Design of new competitive dengue NS2B/NS3 protease inhibitors-a computational approach.

ABSTRACT: Dengue is a serious disease which has become a global health burden in the last decade. Currently, there are no approved vaccines or antiviral therapies to combat the disease. The increasing spread and severity of the dengue virus infection emphasizes the importance of drug discovery strategies that could efficiently and cost-effectively identify antiviral drug leads for development into potent drugs. To this effect, several computational approaches were applied in this work. Initially molecular docking studies of reference ligands to the DEN2 NS2B/NS3 serine protease were carried out. These reference ligands consist of reported competitive inhibitors extracted from Boesenbergia rotunda (i.e., 4-hydroxypanduratin A and panduratin A) and three other synthesized panduratin A derivative compo

SUBMITTER: Frimayanti N 

PROVIDER: S-EPMC3083692 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature