- Hacettepe Journal of Biology and Chemistry
- Vol: 46 Issue: 3
- Synthesis, Structural Calculations and Molecular Docking Studies of a Novel Uracil Derived Organic M...
Synthesis, Structural Calculations and Molecular Docking Studies of a Novel Uracil Derived Organic Molecule
Authors : Gamze Koz
Pages : 373-380
View : 5 | Download : 3
Publication Date : 2018-09-01
Article Type : Research
Abstract :A novel uracil derived compound, (E)-5-((3-chloro-2-hydroxybenzylidene)amino) pyrimidine-2,4(1H,3H)- dione, was synthesized and characterized using spectroscopic techniques. The interaction of the molecule with DNA was explored using computational methods which revealed that the molecule could act as a groove binder. The physicochemical properties of the molecule such as frontier molecule orbitals and chemical reactivity parameters were also investigated.Keywords : Uracil, Schiff base, DNA binding, groove binder, molecular modelling