Nano-ZrO2-Catalyzed Biginelli Reaction and the Synthesis of Bioactive Dihydropyrimidinones That Targets PPAR-? in Human Breast Cancer Cells

Bioactive dihydropyrimidinones (DHPs) were designed and synthesized by a multicomponent Biginelli reaction. The reaction was catalyzed the polarized surface of nano-zirconium dioxide with partial positive charge 0.52e at Zr center negative ?0.23e oxygen center. There good corroboration between computed experimental ZrO2 cell parameters bond distances as determined in silico vitro methods. Since DHPs found to target peroxisome proliferator-activated receptor (PPAR)-?, we tested these ligands toward MCF-7 toxicity, which revealed that compounds 4d [ethyl-4-(4?-fluoro-[1,1?-biphenyl]-4-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate] 4e [ethyl-4-(3?-methoxy-[1,1?-biphenyl]-4-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate] inhibited proliferation IC50 values 11.8 15.8 ?M, respectively. Further, our bioinformatic analysis active molecule 4d, fit into enzyme’s catalytic site, almost same position rosiglitazone, buried deep inside cavity. In conclusion, herein report novel could be better structures help explore new class synthetic PPAR-? ligands.