Ahmed Elshewy

Design, synthesis, molecular docking and molecular dynamics simulations of pyrazolo[3,4-d]pyrimidine scaffolds as selective COX-2 and CDK2 kinase inhibitors with dual anti-inflammatory and anti-proliferative activities

A new series of pyrazolo[3,4-d]pyrimidine scaffolds, namely, 4a–l, were designed, synthesized, and tested for anti-inflammatory and anti-proliferative activities. Compounds 4f and 4g displayed advanced COX-2 selectivity (SI = 4.95 and 16.22) in comparison to celecoxib (SI = 7.61). In addition, all compounds were evalua...