Synthesis, biological evaluation, QSAR and molecular dynamics simulation studies of potential fibroblast growth factor receptor 1 inhibitors for the treatment of gastric cancer
Four series analogs of A114 and A117 have been designed and screened for FGFR1 kinase inhibition. A QSAR model of non-ATP competitive FGFR1 inhibitors was constructed for the first time. Molecular docking and dynamics simulation study suggested that hydrophobic interactions might be the major action mechanism between FGFR1 with D12 and D15. D12 and D15 have a great therapeutic potential in the treatment of gastric cancer.