Phenolic Lignan (PL) Derivatives For The Inhibition Of Dengue Viral Protease Using In-Silico Screening Studies.

Abstract

Dengue infection has become a worldwide problem and infection rate is increasing each year. Dengue virus carries a positive single strand RNA, belongs to  Flaviviridae family consists of four serotypes, give rise to undifferentiated fever(DF), dengue hemorrhagic fever(DHF) or dengue shock syndrome (DSS).Currently there is no licensed drug available for all serotypes and till date several vaccine candidates are still under development. Therefore, there is an urgent need of development of alternative solution for dengue. Dengue virus protease (NS2B-NS3pro) is essential for dengue virus infection and is thus a target of therapeutic interest. Therefore present study was designed to investigate Phenolic lignan derivatives based inhibitors against the dengue virus NS2/NS3 protease of serotype 1 and serotype 4 by in-silico docking approach. Study reveals that most of the Phenolic lignan derivatives bound to active site of dengue viral protease and had potential interactions with the catalytic residues. PL-4 showed potential interactions in both serotype 1(Binding energy-9.1kcal/mol) and serotype 4 (Binding energy-9.8kcal/mol) and hence these can serve as a potential drug candidates to stop viral replication. This finding has provided useful understanding of these compounds in developing potential inhibitor candidates for future studies in developing anti-dengue agents.