Identification of Possible Inhibitor Molecule against NS5 MTase and RdRp Protein of Dengue Virus in Saudi Arabia

Abstract: Background: Non-structural protein 5 (NS5) is considered as an important in Dengue viruses (DENVs). It contains N-terminal methyltransferase (MTase) and C-terminal RNA-dependent RNA polymerase (RdRp) domains. NS5 plays a crucial role the replication of viruses. Therefore it attractive candidate for development therapeutics anti-viral infections diseases. Aim: The aim proposed in-silico study was to screen identify potential lead molecules with drug like properties inhibit activity virus infections. Materials Methods: Computational bioinformatics analysis implemented inhibition against MTase RdRp domains NS5. Phytochemicals active bioassay compounds were screened based on their reported antiviral mactivities. A total fifty-one natural one hundred selected by evaluating eighty studies. Results: Results current revealed galactomannan, galactan, hyperside, carrageenan, tetrahydroxy, lamdacarragenon, zosteric acid, trihydroxy, quercetin sulfoximine top inhibitors protein. Lead namely balsacanea, myricetin, glycyrrhiza, isosilandrin, rhodiola silyhermin showed utmost hydrogen bonding. Overall, we observed that less interaction compared ligands. Conclusion: Based findings study, concluded phytochemicals are most favourable among docked significant inhibitory dengue We suggest these can be validated experimentally viral Dengue. Key words: virus, Molecular docking, structure, MTase, NS5, proteins, RdRp.