Reprofiling of approved drugs against SARS-CoV-2 main protease: an in-silico study
Prateek Kumar, Taniya Bhardwaj, Ankur Kumar, Bhuvaneshwari R. Gehi, Shivani Krishna Kapuganti, Neha Garg, Gopal Nath, Rajanish Giri
Abstract
. We believe that the high-affinity binding of these compounds will help in designing novel strategies for structure-based drug discovery against SARS-CoV-2.Communicated by Ramaswamy H. Sarma.
Topics & Concepts
In silicoProteaseRepurposingDocking (animal)Drug repositioningVirtual screeningPharmacologyDrug discoveryDrugEndoribonucleaseChemistryVirologyComputational biologyBiologyBiochemistryMedicineEnzymeRNAGeneEcologyRNase PNursingComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 ResearchProtein Structure and Dynamics