Drug repurposing studies targeting SARS-CoV-2: an ensemble docking approach on drug target 3C-like protease (3CL <sup>pro</sup> )
Shruti Koulgi, Vinod Jani, Mallikarjunachari Uppuladinne V N, Uddhavesh Sonavane, Asheet Kumar Nath, Hemant Darbari, Rajendra Joshi
Abstract
ensemble docking approach would support the identification of potential candidates for repurposing against COVID-19.Communicated by Ramaswamy H. Sarma.
Topics & Concepts
Drug repositioningProteaseDocking (animal)In silicoProtein Data Bank (RCSB PDB)Drug discoveryRepurposingComputational biologyDrugCoronavirusSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)VirologyChemistryCoronavirus disease 2019 (COVID-19)BiologyPharmacologyMedicineEnzymeBiochemistryInfectious disease (medical specialty)DiseaseGeneEcologyNursingPathologyComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 ResearchResearch on Leishmaniasis Studies