Synthesis, Structural Calculations and Molecular Docking Studies of a Novel Uracil Derived Organic Molecule

Authors : Gamze KOZ

Pages : 373-380

View : 18 | Download : 8

Publication Date : 2018-09-01

Article Type : Research Paper

Abstract :A novel uracil derived compound, insert ignore into journalissuearticles values(E);-5-insert ignore into journalissuearticles values(insert ignore into journalissuearticles values(3-chloro-2-hydroxybenzylidene);amino); pyrimidine-2,4insert ignore into journalissuearticles values(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