QSAR, molecular docking, ADMET properties in silico studies for a series of 7-propanamide benzoxaboroles as potent anti-cancer agents
Mohammed Er-rajy, Mohamed El fadili, Nidal Naceiri Mrabti, Sara Zarougui, Menana Elhallaoui
Topics & Concepts
ChemistryQuantitative structure–activity relationshipProtein Data Bank (RCSB PDB)Docking (animal)In silicoHydrogen bondStereochemistryComputational biologyMoleculeBiochemistryOrganic chemistryNursingMedicineGeneBiologyComputational Drug Discovery MethodsSynthesis and biological activityMulticomponent Synthesis of Heterocycles