Identification of potential plant-based inhibitor against viral proteases of SARS-CoV-2 through molecular docking, MM-PBSA binding energy calculations and molecular dynamics simulation
Bhaskarjyoti Gogoi, Purvita Chowdhury, Nabajyoti Goswami, Neelutpal Gogoi, Tufan Naiya, Pankaj Chetia, Saurov Mahanta, Dipak Chetia, Bhaben Tanti, Probodh Borah, Pratap Jyoti Handique
Topics & Concepts
ProteasesChemistryProteaseDocking (animal)StereochemistryBiochemistryEnzymeMedicineNursingComputational Drug Discovery MethodsPharmacological Effects of Natural CompoundsEssential Oils and Antimicrobial Activity