De novo design of bioactive phenol and chromone derivatives for inhibitors of Spike glycoprotein of SARS-CoV-2 in silico
Joan Petrus Oliveira Lima, Aluísio Marques da Fonseca, Gabrielle Silva Marinho, Matheus Nunes da Rocha, Emanuelle Machado Marinho, Hélcio Silva dos Santos, Rafael M. Freire, Emmanuel Silva Marinho, Pedro de Lima‐Neto, Pierre Basílio Almeida Fechine
Topics & Concepts
ChromoneIn silicoComputational biologyGlycoproteinSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Active siteCoronavirus disease 2019 (COVID-19)ChemistryMolecular dynamicsCombinatorial chemistryBiochemistryStereochemistryBiologyEnzymeGeneMedicineComputational chemistryPathologyDiseaseInfectious disease (medical specialty)Computational Drug Discovery Methodsvaccines and immunoinformatics approachesSynthesis and biological activity