Structural and molecular basis of the interaction mechanism of selected drugs towards multiple targets of SARS-CoV-2 by molecular docking and dynamic simulation studies- deciphering the scope of repurposed drugs
Sinosh Skariyachan, Dharshini Gopal, Shweta Chakrabarti, Priya Kempanna, Akshay Uttarkar, Aditi G. Muddebihalkar, Vidya Niranjan
Topics & Concepts
FavipiravirLopinavirDocking (animal)Drug repositioningRitonavirMolecular dynamicsChemistryHydroxychloroquineDruggabilityChloroquinePlasma protein bindingDrugComputational biologyPharmacologyMedicineCoronavirus disease 2019 (COVID-19)BiologyComputational chemistryBiochemistryVirologyVirusMalariaGeneDiseaseAntiretroviral therapyPathologyImmunologyInfectious disease (medical specialty)Viral loadNursingComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 ResearchSynthesis and biological activity