Combined 3D-QSAR and docking analysis for the design and synthesis of chalcones as potent and selective monoamine oxidase B inhibitors
Marco Mellado, César González, Jaime Mella, Luis F. Aguilar, Dolores Viña, Eugenio Uriarte, Mauricio Cuéllar, María João Matos
Topics & Concepts
ChemistryQuantitative structure–activity relationshipMonoamine oxidaseMonoamine oxidase BDocking (animal)StereochemistryCombinatorial chemistryEnzymeBiochemistryNursingMedicineSynthesis and biological activityComputational Drug Discovery MethodsPharmacological Effects of Natural Compounds