Targeting the DENV NS2B-NS3 protease with active antiviral phytocompounds: structure-based virtual screening, molecular docking and molecular dynamics simulation studies
Priyanka Purohit, Sthitaprajna Sahoo, Madhusmita Panda, Partha Sarathi Sahoo, Biswa Ranjan Meher
Topics & Concepts
Dengue feverDengue virusNS3Virtual screeningChemistryDocking (animal)Binding affinitiesContext (archaeology)ProteaseComputational biologyPharmacologyDrug discoveryCombinatorial chemistryStereochemistryBiochemistryVirologyEnzymeBiologyMedicinePaleontologyNursingReceptorComputational Drug Discovery MethodsToxin Mechanisms and ImmunotoxinsTransgenic Plants and Applications