2026-05-10T05:45:50Z https://www.eurjchem.com/index.php/eurjchem/oai

oai:ojs.www.eurjchem.com:article/784 2013-12-31T06:16:57Z eurjchem:ART driver

Green synthesis of novel pyrazole containing Schiff base derivatives as antibacterial agents on the bases of in-vitro and DFT Khan, Salman Ahmad Asiri, Abdullah Mohamed Basheike, Abdulrhim Alabbas Sharma, Kamlesh Pyrazole Schiff bases Chloramphenicol Antibacterial activity Density functional theory Minimum inhibitory concentration A series of pyrazole containing Schiff bases were synthesized, by the reaction of 3,5-dimethyl-1-phenylpyrazole-4-carboxaldehyde and the corresponding active amines under microwave irradiation. The structures of the synthesized compounds were established by spectroscopic data (FT-IR, 1H NMR, 13C NMR and ESI-MS) and elemental analyses. The anti-bacterial activity of these compounds were tested in vitro by the disc diffusion assay against two Gram-positive and two Gram-negative bacteria, and then the minimum inhibitory concentration using chloramphenicol as reference drug. All the molecules were modeled and optimized by using density functional theory, DFT/B3LYP method. Calculated descriptors, the lower unoccupied molecular orbital and the density were used to interpret the antibacterial activity of the compounds. The results showed that compound 3 is better inhibitor of both types of test bacteria as compared to chloramphenicol. Atlanta Publishing House LLC 2013-12-31 info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion application/pdf https://www.eurjchem.com/index.php/eurjchem/article/view/784 10.5155/eurjchem.4.4.454-458.784 European Journal of Chemistry; Vol. 4 No. 4 (2013): December 2013; 454-458 2153-2257 2153-2249 eng https://www.eurjchem.com/index.php/eurjchem/article/view/784/PDF