Repurposing simeprevir, calpain inhibitor IV and a cathepsin F inhibitor against SARS-CoV-2 and insights into their interactions with M <sup>pro</sup>
Abhithaj Jayanandan, Dileep Francis, C. S. Sharanya, Arun K.G., C. Sadasivan, E. Jayadevi Variyar
Abstract
.Communicated by Ramaswamy H. Sarma.
Topics & Concepts
SimeprevirDrugBankVirtual screeningPharmacophoreProtease inhibitor (pharmacology)ProteaseDrug repositioningDocking (animal)Cysteine proteaseRepurposingIn silicoChemistryComputational biologyVirologyBiologyPharmacologyBiochemistryEnzymeVirusViral loadDrugHepatitis C virusMedicineRibavirinAntiretroviral therapyEcologyGeneNursingComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 ResearchCalpain Protease Function and Regulation