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Virtual screening and molecular dynamics simulation of Passion fruit phyto- metabolites for identifying potential anti-COVID-19agents

Principal Researchers: Dr.Ismail Abiola, Dr.Hasni Arsad On-Going

Duration: May– October, 2020
Research Objectives:

To examine the phytometabolites of passion fruitasapotentialantiCovid-19agentthrough the extraction of phytometabolites of Passion fruit; profiling of the phytometabolites using LCMS and GCMS; Insiulico determination of interaction and inhibiting effects of the phytometabolites on spike,3 CLpro,and PLpro SARS-CoV-2viral proteins; and Determination of ADMET properties of the potent phytometabolites

Nature of Research output:

Journal Articles, Policy Guide, Possible clinical trials

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