QSAR, molecular docking and ADMET studies of quinoline, isoquinoline and quinazoline derivatives against Plasmodium falciparum malaria
Said El Rhabori, Abdellah El Aissouq, Samir Chtita, Fouad Khalil
Topics & Concepts
Quantitative structure–activity relationshipChemistryMolecular descriptorQuinazolineIsoquinolinePlasmodium falciparumDocking (animal)Applicability domainStereochemistryQuinolineTest setComputational biologyComputational chemistryArtificial intelligenceOrganic chemistryComputer scienceMalariaImmunologyNursingMedicineBiologyComputational Drug Discovery MethodsSynthesis and biological activityQuinazolinone synthesis and applications