Inhibitory efficiency of potential drugs against SARS-CoV-2 by blocking human angiotensin converting enzyme-2: Virtual screening and molecular dynamics study
Abdul Ashik Khan, Nabajyoti Baildya, Tanmoy Dutta, Narendra Nath Ghosh
Topics & Concepts
Virtual screeningSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Coronavirus disease 2019 (COVID-19)ChemistryEnzymeDocking (animal)Angiotensin-converting enzyme 2Binding siteReceptorMolecular dynamics2019-20 coronavirus outbreakSpike ProteinPharmacologyVirologyDrug discoveryBiochemistryBiologyMedicineInfectious disease (medical specialty)Computational chemistryVeterinary medicinePathologyDiseaseOutbreakComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 ResearchSynthesis and biological activity