Identification of good and bad fragments of tricyclic triazinone analogues as potential PKC-θ inhibitors through SMILES–based QSAR and molecular docking
Ashwani Kumar, Prof Parvin Kumar
Topics & Concepts
Quantitative structure–activity relationshipChemistryDocking (animal)Computational biologyStereochemistryProtein Data Bank (RCSB PDB)Computational chemistryBiologyMedicineNursingComputational Drug Discovery MethodsSynthesis and biological activityCytokine Signaling Pathways and Interactions