5-((1H-imidazol-1-yl)methyl)quinolin-8-ol as potential antiviral SARS-CoV-2 candidate: Synthesis, crystal structure, Hirshfeld surface analysis, DFT and molecular docking studies
Dhaybia Douche, Yusuf Sert, Silvia Antonia Brandán, Ameed Ahmed Kawther, Bayram Bilmez, Necmi Dege, Ahmed El Louzi, Khalid Bougrin, Khalid Karrouchi, Banacer Himmi
Topics & Concepts
ChemistryNatural bond orbitalDensity functional theoryDocking (animal)CrystallographyMoleculeAqueous solutionSolvationMolecular dynamicsProton NMRImidazoleComputational chemistryChemical shiftStereochemistryPhysical chemistryOrganic chemistryNursingMedicineSynthesis and biological activityNonlinear Optical Materials ResearchSynthesis and Characterization of Heterocyclic Compounds