Docking of disordered independent molecules of novel crystal structure of (N-(4-methoxyphenyl)-2-(3-methyl-2-oxo-3,4-dihydroquinoxalin-1(2H)-yl)acetamide as anti-COVID-19 and anti-Alzheimer's disease. Crystal structure, HSA/DFT/XRD
Mohcine Missioui, Musa A. Said, Güneş Demirtaş, Joel T. Mague, Youssef Ramli
Topics & Concepts
ChemistryHOMO/LUMOAcetamideMolecular orbitalDensity functional theoryIntermolecular forceMoleculeCrystallographyComputational chemistryBasis setDocking (animal)Crystal structureStereochemistryOrganic chemistryNursingMedicineSynthesis and biological activitySynthesis and Biological EvaluationSynthesis and Characterization of Heterocyclic Compounds