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- W3132077894 abstract "The severe acute respiratory syndrome COVID-19 declared a global pandemic by WHO has become the present wellbeing worry to the whole world. There is an emergent need to search for possible medications. We report in this study a molecular docking study of eighteen Oroxylum indicum molecules with the main protease (Mpro) responsible for the replication of SARS-CoV-2 virus. The outcome of their molecular simulation and ADMET properties reveal four potential inhibitors of the enzyme (Baicalein-7-O-diglucoside, Chrysin-7-O-glucuronide, Oroxindin and Scutellarein) with preference of ligand Chrysin-7-O-glucuronide that has the second highest binding energy (- 8.6 kcal/mol) and fully obeys the Lipinski's rule of five.The online version contains supplementary material available at 10.1007/s13721-020-00279-y." @default.
- W3132077894 created "2021-03-01" @default.
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- W3132077894 date "2021-02-06" @default.
- W3132077894 modified "2023-10-01" @default.
- W3132077894 title "Exploring the active constituents of Oroxylum indicum in intervention of novel coronavirus (COVID-19) based on molecular docking method" @default.
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- W3132077894 doi "https://doi.org/10.1007/s13721-020-00279-y" @default.
- W3132077894 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/7865104" @default.
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