A phytochemical-based medication search for the SARS-CoV-2 infection by molecular docking models towards spike glycoproteins and main proteases
Anju Choorakottayil Pushkaran, Prajeesh Nath EN, Anu R. Melge, Rammanohar Puthiyedath, C. Gopi Mohan
Abstract
Identifying best bioactive phytochemicals from different medicinal plants using molecular docking techniques demonstrates a potential pre-clinical compound discovery against SARS-CoV-2 viral infection.
Topics & Concepts
PhytochemicalDocking (animal)ProteasesGlycoproteinChemistryComputational biologyStereochemistryVirologyBiochemistryBiologyEnzymeMedicineVeterinary medicineComputational Drug Discovery MethodsPharmacological Effects of Natural CompoundsEssential Oils and Antimicrobial Activity