Strong Binding of Leupeptin with TMPRSS2 Protease May Be an Alternative to Camostat and Nafamostat for SARS-CoV-2 Repurposed Drug: Evaluation from Molecular Docking and Molecular Dynamics Simulations
Jaganathan Ramakrishnan, Saravanan Kandasamy, Ancy Iruthayaraj, Magudeeswaran Sivanandam, Chinnasamy Kalaiarasi, P. Kumaradhas
Topics & Concepts
LeupeptinTMPRSS2ProteaseDocking (animal)DrugPharmacologyChemistrySerine proteaseBiologyBiochemistryCoronavirus disease 2019 (COVID-19)Infectious disease (medical specialty)MedicineEnzymeDiseasePathologyNursingSARS-CoV-2 and COVID-19 ResearchComputational Drug Discovery MethodsLipid Membrane Structure and Behavior