A Computational approach to discover potential quinazoline derivatives against CDK4/6 kinase
Arjun Anant, Amena Ali, Abuzer Ali, Ghanshyam Das Gupta, Vivek Asati
Topics & Concepts
PharmacophoreChemistryQuantitative structure–activity relationshipVirtual screeningDocking (animal)QuinazolineADMELipinski's rule of fiveProtein Data Bank (RCSB PDB)StereochemistryKinaseComputational biologySerineEnzymeCombinatorial chemistryBiochemistryIn silicoMedicineNursingIn vitroBiologyGeneCancer therapeutics and mechanismsComputational Drug Discovery MethodsSynthesis and biological activity