Modelling the DFT structural and reactivity study of feverfew and evaluation of its potential antiviral activity against COVID-19 using molecular docking and MD simulations
Shradha Lakhera, Kamal Devlal, Arabinda Ghosh, Papia Chowdhury, Meenakshi Rana
Topics & Concepts
Coronavirus disease 2019 (COVID-19)Docking (animal)Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)2019-20 coronavirus outbreakMolecular dynamicsReactivity (psychology)Computational biologyChemistryComputational chemistryVirologyMedicineBiologyInfectious disease (medical specialty)Veterinary medicineOutbreakPathologyAlternative medicineDiseaseComputational Drug Discovery MethodsTraditional and Medicinal Uses of AnnonaceaeSesquiterpenes and Asteraceae Studies