A. Y. Abdullah Alzahrani

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-d]pyrimidine scaffolds, namely, 4a–l, were designed, synthesized, and tested for anti-inflammatory and anti-proliferative activities and represent promising starting candidates for the development of future CDK2 kinase and COX-2 inhibitors.