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INSILICO ANALYSIS OF SELECTED MEDICINAL PLANTS AND ANTIVIRAL COMPOUNDS AS POTENT DRUGS AGAINST nCOV MAIN PROTEASE

. Dilna Novichan and Suganthi A


Abstract

Background:  Eighteen antiviral compounds were selected from five medicinal plants (Allium sativum, Cinnamomum verum, Ocimum basilicum, Azadirachta indica, Tinospora cordifolia) and three standard drugs (Favipiravir, Indomethacin, Boceprevir) were docked against target protein (2019-nCoV main protease PDB : ID 7brp).Multiple approaches would be extreme necessary to handle the outbreak of corona these include statistical tools, computational modelling, and quantitative analyses to control the spread as well as the rapid expansion of a new treatment. Objective: To select the antiviral compounds from selected five medicinal plants against n-CoV protein. To study the 18 antiviral compounds present in the selected medicinal plants using Insilico analysis and the effectiveness of the compounds in treating Covid 19 by montoring the extent to which the interact with the target protein (2019-nCoV main protease PDB: ID 7brp).  Material and methods: Eighteen antiviral compounds were selected from five medicinal plants (Allium sativum, Cinnamomum verum, Ocimum basilicum, Azadirachta indica, Tinospora cordifolia) were selected from pubchem compounds. Target protein (2019-nCoV main protease PDB: ID 7brp) is obtained from PDB.  All the compounds were allowed for docking study with help of iGEMDOCK docking software. Results: The result showed that Amritoside binding energy -160 and seven hydrogen bonds when compared to Boceprevir a native ligand of the protein has binding energy -124 and six hydrogen bonds. Conclusion: From this study it has been concluded that Amritoside is a potent inhibitor against Covid 19 main protease enzyme.

Keywords: Potent inhibitor, nCOV main protease, Molecular Docking, Ligand, Target Protein, Antiviral Compounds.

 

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