Publication

Abstract : Current research work deals with the design, synthesis and in vitro analysis of some novel 3,4-dihydropyrimidin-2-one derivatives for breast carcinoma. Different analytical methods like UV, FTIR, 1H NMR, 13C NMR and Mass spectrometry were performed to obtain the data regarding the structure of the nine synthesized derivatives. The derivatives designed were then subjected to in silico docking studies using BIOVIA Discovery Studio using the receptor Histone deacetylase protein (5EDU). ADMET analysis and Lipinski rule were performed using Biovia Discovery studio and molinspiration. All the compounds showed good interaction with HDAC protein Compounds were synthesized using three component one pot synthesis. IR spectroscopy of the derivatives showed alkane –CH str, aromatic C=C str, aromatic –CH str, -NH str, C=O str and C-N str in common. No additional peak were found in the spectrum. Number of protons and carbon atoms were confirmed by 1H NMR and 13C NMR and mass spectrometry. The derivatives were then screened for their antioxidant property by using DPPH assay. All the compounds showed moderate antioxidant activity when compared with the standard ascorbic acid. CS8 showed best antioxidant property. The cytotoxicity studies of the derivatives were tested in vitro by using 4T1 cell lines by Alamar blue assay method.CS3 and CS8 derivatives were found to be more effective. From the Cell line studies it have been concluded that the synthesized derivatives CS3 and CS8 inhibited the proliferation of 4T1 breast cancer cell lines at 180 and 360µg/mL at 48th hour. All derivatives synthesized proved to be cancer specific.