Selected Inhibitors for Dengue Virus NS5 RNA- Dependent RNA Polymers Using a Molecular Docking Approach

Author(s)	Shams Tabrez, Supriya M S, Manjula L, Bhagya HM, Dr. Mohammed Yaseen, PT
Country	India
Abstract	The Dengue virus is a mosquito-borne viral disease occurring in tropical and subtropical areas of the world. The dengue virus (DENV) non-structural protein 5 (NS5) which contains two domains N-Terminal domain & C-Terminal domain. The N-Terminal has methyl transferase domain and the C-Terminal has RNA-dependent RNA polymerase domain (RDRP). Both activities are responsible for viral RNA synthesis and replication. The incidence of dengue has increased rapidly and now which is estimated half of the human population at risk. There are no specific drugs to treat DENV infections. The present in silico study which is aimed at looking for new inhibitors of the dengue virus. NS5 RNA-dependent RNA-Polymerase (RdRp) against dengue. Antiviral substances which is obtained from natural products, including phytocompounds and standard drugs. Docking study which is performed by using autodock vina, pymol molecular graphics system, version 1.5.0.4, Schrodinger, LLC phytocompounds with high negative free energy docking score is-8.7 kcal/mol. Phytocompounds and standard drugs were screened and their interaction with NS5 was identified.
Keywords	Flavivirus, Dengue virus, virtual screening, molecular docking, autodock/vina, Inhibitors, phytocompounds, standard drugs, NS5 RNA- dependent RNA polymerase.
Field	Medical / Pharmacy
Published In	Volume 7, Issue 1, January-February 2026
Published On	2026-02-28

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