Molecular basis for drug repurposing to study the interface of the S protein in SARS-CoV-2 and human ACE2 through docking, characterization, and molecular dynamics for natural drug candidates
Meshari Alazmi, Olaa Motwalli
Topics & Concepts
Drug repositioningDocking (animal)Drug discoveryVirtual screeningDrugBankDrugComputational biologyEctodomainChemistryProtein structurePharmacologyBiologyBiochemistryMedicineReceptorNursingAndrographolide Research and ApplicationsComputational Drug Discovery MethodsTraditional and Medicinal Uses of Annonaceae