Drug repurposing against main protease and RNA-dependent RNA polymerase of SARS-CoV-2 using molecular docking, MM-GBSA calculations and molecular dynamics
Ahmed O. Mohammed, Mazin I. Abo-Idrees, Alaa A. Makki, Walaa Ibraheem, Abdulrahim A. Alzain
Topics & Concepts
Drug repositioningRepurposingChemistryCoronavirusComputational biologyRNA-dependent RNA polymeraseDrug discoveryRNA polymeraseDocking (animal)VirologyPharmacologyProteaseRNAVirtual screeningPolymeraseDrugCoronavirus disease 2019 (COVID-19)BiologyMedicineInfectious disease (medical specialty)BiochemistryDiseaseEnzymeGenePathologyNursingEcologyComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 ResearchSynthesis and biological activity