From in silico and machine learning model to validation: discovery of novel amide-functionalized imidazopyridines as PIM-1 kinase inhibitors using an integrated ligand and structure-based hopping approach

Pro-viral integration sites for Moloney murine leukaemia virus (PIM) kinases are important target in cancer drug discovery. New lead discovery involving, in silico and ML modelling resulted imidazopyridines as new PIM-1 kinase inhibitors.