 |
Instructor from the Energy Research Center publishes a research on comparative molecular modeling of Coumarin derivatives |
Instructor from the Energy Research Center publishes a research on comparative molecular modeling of Coumarin derivatives
Free Radicals and Antioxidants
Entitled: Comparative Molecular Modeling Studies of Coumarin Derivatives as Potential Antioxidant Agents
The Comarines is found in plants, including various vegetables, and also exists in some flavors and foods. Coumarin has various important medical activities such as anti-inflammatory, anti-oxidant, antiviral, antimicrobial, anti-cancer. In some studies it has been pointed out its ability to increase activity of the central nervous system. In this research new derivatives of Coumarin have been manufactured which are interesting and specially designed for medical applications especially for antioxidant activity. The coumarin was successfully synthesized through a series of interactions with 4-hydroxycomarin as a primary nucleus. The molecular structures of the manufactured comarins have been diagnosed using infrared and NMR. The efficiency of compounds prepared as antioxidants was measured using the spectral method using free radicals using DPPH and H2O2 compounds. The new comarines prepared in this work had an excellent anti-oxidant effect compared with vitamin C. Studies using functional density theory showed that there is a high correlation between the following factors: dipole, ionization energy, η hardness, S elasticity, μ electrolysis, energy gap, HOMO LUMO, and the susceptibility of compounds prepared as antioxidants.