Structure-based design of potent pyrazolo1,5- a pyrimidine CDK4/6 inhibitors: biological evaluation and computational validation

Key Points

• The aim is to develop effective CDK4/6 inhibitors targeting cancer cell proliferation.
• Utilized structure-based design for inhibitor development
• Conducted biological evaluations in HCT-116 cells to assess efficacy
• Performed molecular docking and dynamics studies for computational validation
• Inhibitor 19i effectively induced G1 cell-cycle arrest
• Promoted apoptosis in HCT-116 cells
• Demonstrated adequate enzymatic inhibition through studies