Using bioinformatics tools for evaluation binding affinity of HCV NS3 protease inhibitors on Dengue virus

HERNÁNDEZ SÁNCHEZ KARLA V.; SALVATIERRA KARINA; SIERRA CHUQUÍN ANAMARÍA

Congreso; 1st Congress of Women in Bioinformatics and Data Science LA; 2020

Asociación Argentina de Bioinformática y Biología Computacional

Hepatitis C virus (HCV) (genus Hepacivirus) and dengue virus (DENV) (genus Flavivirus)belong to the same viral family Flaviviridae sharing similar genome organization andreplication strategies. Initially, research conducted on DENV was the actual starting andinspiration point for HCV research, when it became known that HCV had a flavivirus-likegenome. Dengue virus is a major emerging pathogen for which the development of drugs,vaccines and antiviral therapy has seen little success. The NS3 viral protease is a potentialtarget for antiviral drugs since it is required for virus replication and has been establishedas a target to antivirals for treatment of HCV infections. In this study, bioinformatics toolswere used to chosen to the antivirals of HCV (Boceprevir, Telaprevir, Asunaprevir,Danoprevir, Narlaprevir) to dock on the active site of the protease of DENV. Mapping ofthe active site demonstrated a highly conserved residues. Of the five docked HCVinhibitors, all showed binding affinity to the active site. This study utilized publicallyavailable bioinformatics tools to provide a molecular dynamics of the protease on DENV.We believe that in this way, antivirals tested in this study are promising to move on to invitro studies and could be use in the future as treatment for DENV.