Hunting the main protease of SARS-CoV-2 by plitidepsin: Molecular docking and temperature-dependent molecular dynamics simulations
Vijay Kumar Vishvakarma, Madhur Babu Singh, Pallavi Jain, Kamlesh Kumari, Prashant Singh
Topics & Concepts
RepurposingDrug repositioningCoronavirus disease 2019 (COVID-19)Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Protease2019-20 coronavirus outbreakPharmacologyMedicineDocking (animal)VirologyChemistryComputational biologyDrugInternal medicineBiologyEnzymeBiochemistryInfectious disease (medical specialty)EcologyOutbreakNursingDiseaseComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 ResearchProtein Structure and Dynamics