2D and 3D-QSAR Modeling of 1H‑Pyrazole Derivatives as EGFR Inhibitors: Molecular Docking, and Pharmacokinetic Profiling
Sagiru Hamza Abdullahi, Adamu Uzairu, Gideon Adamu Shallangwa, Sani Uba, Abdullahi Bello Umar
Topics & Concepts
Quantitative structure–activity relationshipChemistryIn silicoADMEDocking (animal)PharmacokineticsErlotinibStereochemistryPyrazoleDrugComputational biologyCombinatorial chemistryPharmacologyEpidermal growth factor receptorIn vitroReceptorBiochemistryBiologyMedicineNursingGeneSynthesis and biological activityComputational Drug Discovery MethodsCancer therapeutics and mechanisms