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1,2,4 triazolo[1,5-a] pyrimidin-7-ones as novel SARS-CoV-2 Main protease inhibitors: In silico screening and molecular dynamics simulation of potential COVID-19 drug candidates

K. Kavitha, Subramaniam Sivakumar, B. Ramesh

2020Biophysical Chemistry26 citationsDOIOpen Access PDF

Topics & Concepts

ChemistryMolecular dynamicsNelfinavirProteaseRadius of gyrationIn silicoStereochemistryVirtual screeningLopinavirADMEEnzymeCoronavirus disease 2019 (COVID-19)Computational chemistryBiochemistryHuman immunodeficiency virus (HIV)In vitroOrganic chemistryAntiretroviral therapyInfectious disease (medical specialty)MedicineDiseasePathologyPolymerGeneFamily medicineViral loadComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 ResearchTuberculosis Research and Epidemiology
1,2,4 triazolo[1,5-a] pyrimidin-7-ones as novel SARS-CoV-2 Main protease inhibitors: In silico screening and molecular dynamics simulation of potential COVID-19 drug candidates | Litcius