Журнал прикладной биоинформатики и вычислительной биологии

Identification of Potent Inhibitor for RNA Dependent RNA Polymerase (RDRP) of Dengue Virus Serotype-3: A Molecular Docking Study

Sankarasubramanian J, Pavithra KB and Kavitha B

Identification of Potent Inhibitor for RNA Dependent RNA polymerase (RDRP) of Dengue Virus Serotype-3: A Molecular Docking Study

Dengue (RNA virus) virus belongs to the family of flaviviridae. It has four serotypes like DENV1, DENV2, DENV3, and DENV4. RNA dependent RNA polymerase (RdRP) is an enzyme that catalyses the replication of RNA from an RNA template and was taken as a target protein for our study. We have taken RdRP of the dengue virus serotype 3 with the PDB Id: 2J7W. Ribavirin, an antiviral drug which is a guanosine analogue for RNA viruses reported to inhibit dengue virus replication and amantadine which was also reported to have inhibitory effect over the replication proteins of dengue virus proteins have been taken as a target drug molecule in the current study. Entropy enthalpy hybrid docking was performed for the ligands against the RdRP protein and ribavirin was found to be the best ligand that can inhibit the RdRP effectively. Further study can be performed to prove the efficacy of the drug in inhibition of the DENV Proteins using wet lab/clinical techniques.