Luteolin: a blocker of SARS-CoV-2 cell entry based on relaxed complex scheme, molecular dynamics simulation, and metadynamics
Daniel M. Shadrack, Geradius Deogratias, Lucy W. Kiruri, Isaac Onoka, John‐Mary Vianney, Hulda Swai, Stephen S. Nyandoro
Topics & Concepts
MetadynamicsLuteolinCoronavirus disease 2019 (COVID-19)ChemistryMolecular dynamicsSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)StereochemistryPharmacologyBiologyBiochemistryFlavonoidMedicineComputational chemistryInfectious disease (medical specialty)AntioxidantPathologyDiseaseComputational Drug Discovery MethodsToxin Mechanisms and ImmunotoxinsBerberine and alkaloids research