Screening of cryptogamic secondary metabolites as putative inhibitors of SARS-CoV-2 main protease and ribosomal binding domain of spike glycoprotein by molecular docking and molecular dynamics approaches
G. Prateeksha, Tikam Singh Rana, A. K. Asthana, Brahma N. Singh, Saroj Kanta Barik
Topics & Concepts
AutoDockChemistryDocking (animal)Protein Data Bank (RCSB PDB)ProteaseDOCKBiochemistryEnzymeUsnic acidComputational biologyIn silicoBiologyLichenGeneMedicineNursingBotanyComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 ResearchSynthesis and biological activity