Online ISSN: 2788-6867

Keywords : DFT

Synthesis, Bio-evaluation and Quantum Chemical Studies of Some Coumarin Derivatives

Yasameen Kadhim Hasan Al-Majedy; Samar M. Shakir

Journal of Applied Sciences and Nanotechnology, 2022, Volume 2, Issue 1, Pages 20-27
DOI: 10.53293/jasn.2021.4164.1076

Coumarins are oxygen heterocyclic compounds that exist naturally and have a wide range of pharmacological properties, making them ideal as lead compounds for developing more powerful analogs. The modification of 4-methyl, 7-hydroxycoumarin by different reaction steps was done in this study to yield target compounds. They were characterized by different spectroscopic techniques (FT-IR and NMR), melting point and a thin layer chromatography. The microbiological activity of these compounds was investigated in a variety of bacterial and fungal species. Since the newly synthesized derivatives contain a variety of functional groups and may be microbiologically active, so the microbiological function of these derivatives in a variety of bacteria and fungi species was examined. In terms of the microorganism growth inhibition, the prepared compounds showed various levels of the activity. Antimicrobial properties have been discovered in newly synthesized derivatives. Density functional theory calculations of the synthesized coumarins were performed using molecular structures with optimized geometries.