Synthesis, Structure, and In Vitro Pharmacological Evaluation of some New Pyrimidine-2-Sulfonamide Derivatives and Their Molecular Docking Studies on Human Estrogen Receptor Alpha and CDK2/Cyclin Proteins

Abstract

Abstract In this approach, novel pyrimidine-2-sulfonamide derivatives based on the 2H-chromen-2-one moiety were synthesized and evaluated as anticancer and antibacterial agents. Molecular docking studies have been conducted to investigate the interactions of these compounds with human estrogen receptor alpha (ERα) and 4CDK2/Cyclin proteins. The studies have shown that these derivatives can bind to (ERα and 4CDK2/Cyclin) proteins with high affinity, suggesting that they may have potential as anti-cancer agents. The cytotoxicity of these compounds was investigated in vitro against MCF-7 and HCT-116 cancer cell lines, with encouraging results being obtained for some of the tested derivatives. In addition, antibacterial studies revealed that some of the synthesized derivatives exhibited effectiveness against tested microorganisms compared to the well-established antibacterial drug Ciprofloxacin. Further, molecular interaction studies revealed that the synthesized molecules have a significant binding affinity toward human estrogen receptor Alpha and CDK2/cyclin A proteins.