Title
Importance of fluorine in 2, 3-Dihydroquinazolinone and its interaction study with lysozyme
Author
K. Hemalatha, G. Madhumitha, Naif Abdullah Al-Dhabi, Mariadhas Valan Arasu
Year
2016
Journal
Journal of Photochemistry and Photobiology B: Biology
Abstract
The main aim of this study is to investigate the interaction of 7-fluoro-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-one with lysozyme through various spectrophotometric studies. The graph such as Stern-Volmer plot, modified Stern Volmer plot, double logarithmic plot and Van't Hoff plot were plotted to determine the various parameters essential for predicting the interaction. The interaction of the ligand with the protein was further confirmed by circular dichroism and NMR study. The molecular docking was performed and the results obtained were correlated with the other studies. The importance of fluorine was justified through the prediction of pKa values and the possible metabolic pathway using the in silico tools. In addition, the cytotoxicity of the compound was carried out using HeLa cancer cell.
Instrument
J-715
Keywords
Circular dichroism, Secondary structure, Ligand binding, Protein folding, Biochemistry