3D-pharmacophore study molecular docking and synthesis of pyrido[2,3-d]pyrimidine-4(1H) dione derivatives with in vitro potential anticancer and antioxidant activities

Some poly functionalized heterocyclic-compounds containing pyridine-moieties were readily assembled by combining differently functionalized pyridopyrimidine-6-carbonitrile derivatives 1a,b with different electrophilic and nucleophilic reagents via short synthetic routes. The structures of the prepared derivatives were ascertained from their-spectral-and elemental analyses. Some of the synthesized compounds were tested as plausible antitumor agents. Most of those tested compounds likes 7 , 9 , 10 , 11a showed cytotoxic potencies against different tumor cell lines. In addition, the assessments for their antioxidant activities have also been done and compound 9 exhibited the highest antioxidant activity while compounds 7 and 10 showed moderate activities. Finally, molecular docking studies were carried out which favorably indicated a high support for the experimental-results.