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Lead generation of cysteine based mesenchymal epithelial transition (c-Met) kinase inhibitors: Using structure-based scaffold hopping, 3D-QSAR pharmacophore modeling, virtual screening, molecular docking, and molecular dynamics simulation

Asmaa Raafat, Samar Mowafy, Sahar M. Abou‐Seri, Marwa A. Fouad, Nahla A. Farag

2022Computers in Biology and Medicine19 citationsDOI

Topics & Concepts

PharmacophoreVirtual screeningQuantitative structure–activity relationshipLipinski's rule of fiveMolecular dynamicsComputational biologyChemistryDocking (animal)DOCKComputer scienceBioinformaticsStereochemistryComputational chemistryBiologyBiochemistryIn silicoMedicineNursingGeneComputational Drug Discovery MethodsEnzyme function and inhibitionLiver physiology and pathology
Lead generation of cysteine based mesenchymal epithelial transition (c-Met) kinase inhibitors: Using structure-based scaffold hopping, 3D-QSAR pharmacophore modeling, virtual screening, molecular docking, and molecular dynamics simulation | Litcius