Title of article :
investigation of anti-coronavirus, anti-hcv, nucleotide inhibitors, and bioactive molecules efficacy against rna-directed rna polymerase of nipah virus: molecular docking study
Author/Authors :
habib, peter colors medical laboratories - department of bioinformatics, cairo, egypt
From page :
1
To page :
5
Abstract :
introduction: the infections with the nipah virus (niv) are highly infectious and may lead to severe febrile encephalitis. high mortality rates in southeastern asia, including bengal, malaysia, papua new guinea, vietnam, cambodia, indonesia, madagascar, the philippines, thailand, and india, have been reported in niv outbreaks. considering the high risk of an epidemic, niv was declared a priority pathogen by the world health organization. however, for the treatment of this infection, there is no effective therapy or approved fda medicines. rnadependent polymerase rna (rdrp) plays an important role in viral replication among the nine wellknown proteins of niv. material and methods: fourteen antiviral molecules have been computerized for niv rnadependent rna polymerase and demonstrated a potential inhibition effect against coronavirus (nivrdrp). a multistep molecular docking process, followed by extensive analyzes of molecular binding interactions, binding energy estimates, synthetic accessibility assessments, and toxicity tests. results: molecular docking analysis reveals that uprifosbuvir is the most suitable inhibitor for rdrp of nipah virus regarding the binding affinity and binding in the target cavity. although, such studies need clinical confirmation. conclusion: the role of antiviral molecules as a ligand against rnadependent rna polymerase is critical important in the current era. computational tools such as molecular docking has proven its power in the analysis of molecules interaction. our analysis reveals the uprifosbuvir might be a candidate rdrp inhibitor. this study should further investigate the properties of the already identified antiviral molecules followed by a pharmacological investigation of these insilico findings in suitable models.
Keywords :
molecular docking , nipah virus , antiviral molecules and drug
Journal title :
frontiers in health informatics
Journal title :
frontiers in health informatics
Record number :
2704958
Link To Document :
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