2D-QSAR modeling, drug-likeness studies, ADMET prediction, and molecular docking for anti-lung cancer activity of 3-substituted-5-(phenylamino) indolone derivatives
Mohammed Er-rajy, Mohamed El fadili, Hanine Hadni, Nidal Naceiri Mrabti, Sara Zarougui, Menana Elhallaoui
Topics & Concepts
Quantitative structure–activity relationshipChemistryDocking (animal)StereochemistryProtein Data Bank (RCSB PDB)Anticancer drugComputational chemistryDrugPharmacologyMedicineNursingComputational Drug Discovery MethodsSynthesis and biological activityClick Chemistry and Applications