Repurposing of anti-lung cancer drugs as multi-target inhibitors of SARS-CoV-2 proteins: An insight from molecular docking and MD-simulation study
Rahimasoom Reza, Tanmoy Dutta, Nabajyoti Baildya, Narendra Nath Ghosh, Abdul Ashik Khan, Rajesh Kumar Das
Topics & Concepts
Docking (animal)Drug repositioningRepurposingDrugSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)ChemistryMolecular dynamicsPharmacologyCoronavirus disease 2019 (COVID-19)Computational biologyLung cancerBiologyMedicineOncologyComputational chemistryDiseasePathologyNursingEcologyInfectious disease (medical specialty)Computational Drug Discovery MethodsCancer therapeutics and mechanismsSynthesis and biological activity