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3D-QSAR, molecular docking and ADMET studies of thioquinazolinone derivatives against breast cancer

Said El Rhabori, Abdellah El Aissouq, Samir Chtita, Fouad Khalil

2022Journal of the Indian Chemical Society14 citationsDOI

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
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