Synthesis, biological evaluation and molecular docking studies of some pyrimidine derivatives

• The design and synthesis of novel pyrimidine derivatives.
• Compounds were investigated for anticancer and antimicrobial activities.
• Docking was performed for the five most active anticancer compounds.

Some novel pyrimidine-5-carbonitrile derivatives bearing various substituent have been synthesized. The structures of target compounds were confirmed by elemental analysis and spectral data. Some selected members of the newly synthesized compounds were investigated for their cytotoxic potency against certain human tumor cell lines. Five representative active anticancer compounds 6a, 6c, 6d, 17a and 18a were subjected to docking using MOE program on the 3D structure of two enzymes, namely; thymidylate synthase and dihydrofolate reductase. The antimicrobial activities of the synthesized compounds were tested against Staphylococcus aureus, Pseudomonas aeruginosa, Shigella flexneri and Candida albicans. Compounds 2c, 7a and 9c showed broad spectrum antimicrobial activity.

Synthesis of some pyrimidine analogs as a biologically active backbone with the hope to go a step forward in the field of anticancer and antimicrobial treatment.Figure optionsDownload as PowerPoint slide