3D-QSAR, molecular docking and ADMET studies of thioquinazolinone derivatives against breast cancer
Said El Rhabori, Abdellah El Aissouq, Samir Chtita, Fouad Khalil
Topics & Concepts
Quantitative structure–activity relationshipChemistryBreast cancerDocking (animal)AromataseComputational biologyDrug discoveryProtein Data Bank (RCSB PDB)Lipinski's rule of fiveDrugMolecular modelCancerStereochemistryCombinatorial chemistryPharmacologyBiochemistryBiologyIn silicoGeneGeneticsMedicineNursingComputational Drug Discovery MethodsSynthesis and biological activityCancer therapeutics and mechanisms