Screening of natural compounds from Cyperus rotundus Linn against SARS-CoV-2 main protease (Mpro): An integrated computational approach
S. Birendra Kumar, Swati Krishna, Sneha Pradeep, Divya Elsa Mathews, Ramya Pattabiraman, Manikanta Murahari, T. P. Krishna Murthy
Topics & Concepts
Cyperus rotundusADMEDocking (animal)ProteasePharmacologyComputational biologyRitonavirChemistryIn silicoIntegraseDrug discoveryBiochemistryPharmacokineticsBiologyEnzymeTraditional medicineVirologyMedicineVirusViral loadGeneVeterinary medicineAntiretroviral therapyDrug-Induced Hepatotoxicity and ProtectionComputational Drug Discovery MethodsEssential Oils and Antimicrobial Activity