Design and Prediction of ADME/Tox Properties of Novel Magnolol Derivativesas Anticancer Agents for NSCLC Using 3D-QSAR, Molecular Docking,MOLCAD and MM-GBSA Studies
Ossama Daouı, Souad Elkhattabi, Samir Chtita
Topics & Concepts
Quantitative structure–activity relationshipChemistryADMEIn silicoPharmacophoreProtein Data Bank (RCSB PDB)Docking (animal)MagnololVirtual screeningMolecular descriptorComputational biologyStereochemistryBiochemistryBiologyIn vitroNursingChromatographyGeneMedicineMagnolia and Illicium researchSynthesis and biological activityPharmacological Effects of Natural Compounds