Structural prediction of novel pyrazolo-pyrimidine derivatives against PIM-1 kinase: In-silico drug design studies
Vivek Asati, Shivangi Agarwal, Mitali Mishra, Ratnesh Das, Sushil K. Kashaw
Topics & Concepts
PharmacophoreChemistryDocking (animal)ADMEQuantitative structure–activity relationshipIn silicoVirtual screeningKinasePyrimidineRamachandran plotStereochemistryHydrogen bondLipinski's rule of fiveComputational biologyMoleculeCombinatorial chemistryBiochemistryProtein structureIn vitroOrganic chemistryBiologyNursingMedicineGeneCancer Mechanisms and TherapySynthesis and Characterization of Heterocyclic CompoundsSynthesis and biological activity