Synthesis, biological evaluation and molecular docking studies of novel 2-alkylthiopyrimidino-tacrines as anticholinesterase agents and their DFT calculations
Chamseddine Derabli, Houssem Boulebd, Ahmed B. Abdelwahab, Celia Boucheraine, Sarah Zerrouki, Chawki Bensouıcı, Gilbert Kirsch, Raouf Boulcina, Abdelmadjid Debache
Topics & Concepts
ChemistryAcetylcholinesteraseHOMO/LUMODocking (animal)Density functional theoryStereochemistryElectrophileMolecular orbitalElectronegativityComputational chemistryGalantamineProton NMRCarbon-13 NMRMoleculeOrganic chemistryEnzymeDonepezilNursingDiseaseDementiaCatalysisPathologyMedicineComputational Drug Discovery MethodsCholinesterase and Neurodegenerative DiseasesSynthesis and biological activity