New pyrazolopyrimidine derivatives with anticancer activity: Design, synthesis, PIM-1 inhibition, molecular docking study and molecular dynamics
John N. Philoppes, Mohammed A. Khedr, Marwa H. A. Hassan, Gehan M. Kamel, Phoebe F. Lamie
Topics & Concepts
ChemistryPyrimidineDocking (animal)StereochemistryMolecular modelIC50Molecular dynamicsIn vitroStructure–activity relationshipCombinatorial chemistryBiochemistryComputational chemistryNursingMedicineCancer Mechanisms and TherapySynthesis and biological activityQuinazolinone synthesis and applications