In silico identification of anti-flavivirid phytochemicals in the family meliaceae

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dc.contributor.authorArooj Arshad
dc.date.accessioned2025-11-18T08:58:43Z
dc.date.available2025-11-18T08:58:43Z
dc.date.issued2019
dc.description.abstractFlavivirids are positive sense and single stranded RNA viruses which pertain to family Flaviviridae. Being responsible for rapidly evolving diseases and various health problems, flavivirids are big threat to world’s health. Therefore, solution in the form of drugs, designed through phytochemicals can serve as effective agents to fight against flavivirids by inhibiting their reproduction and growth. RNA-dependent-RNA Polymerase is the non-structural protein and a key enzyme involved in replication of family Flaviviridae. The aim of this study is to successfully screen anti-flavivirid phytochemicals in plant Family Meliaceae, which may serve as effective inhibitors of non-structural protein RdRP of flavivirids. Sum of 75 phytochemicals were selected from three species of family meliaceae depending upon their important therapeutic activities. The Absorption, Distribution, Metabolism, Excretion, Toxicity (ADMET analysis) and molecular docking (MD) was done to analyze the potential phytochemicals against RdRP of the type species from each genus of family Flavivirdae; Yellow Fever Virus from Genus Flavivirus, Hepatitis C Virus Subtype 3a from Genus Hepacivirus, Bovine viral diarrhea virus 1 NADL from Genus Pestivirus and Hepatitis GB virus from Genus Pegivirus. Out of 30 screened phytochemicals, 21 phytochemicals were found to have binding affinities ≥ -8.0 Kcal/mol against RdRP of different genera. Out of these 21 phytochemicals, 3 phytochemicals; Quercetin3-O-L-Rhamnoside, Nimboldin-A and Nimbinin, were found as the best inhibitor of RdRP from different genera.
dc.identifier.urihttps://escholar.umt.edu.pk/handle/123456789/10514
dc.language.isoen
dc.publisherUMT, Lhr
dc.titleIn silico identification of anti-flavivirid phytochemicals in the family meliaceae
dc.typeThesis
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