Synthesis, Antimicrobial Activity, DNA-Binding Affinity and Molecular Docking of Certain 1,2,4-Triazolo[1,5-a]Pyrimidines as Nalidixic Acid Isosteres
Mariam A. Ghaly1*, Eman R. El-Bendary1, Ihsan A. Shehata1, Said M. Bayomi1, El-Sayed E. Habib2
1. Department of Medicinal Chemistry, Faculty of Pharmacy, Mansoura University, Mansoura 35516, Egypt; 2. Department of Microbiology, Faculty of Pharmacy, Mansoura University, Mansoura 35516, Egypt. email@example.com
Abstract: A series of substituted 1,2,4-triazolo[1,5-a]pyrimidines, of the general formula A, was synthesized and tested for in vitro activities against a panel of Gram positive and Gram negative bacteria and the yeast-like pathogenic fungus Candida albicans. The results revealed that the G+ve bacteria Bacillus subtilis and to a lesser extent Staphylococcus aureus, and the G-ve E. coli, are sensitive to the majority of the synthesized compounds. In addition, the DNA binding affinity of the synthesized compounds was tested, and results of the qualitative preliminary assay showed that compounds 8c, 7c and 7a were the most active analogues. Consequently, docking studies were done for these compounds to identify the target receptors, and the results showed promising energy score of docking with enzymes related to bacterial infections.
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[Ghaly MA, El-Bendary ER, Shehata IA, Bayomi SM, Habib EE. Synthesis, Antimicrobial Activity, DNA-Binding Affinity and Molecular Docking of Certain 1,2,4-Triazolo[1,5-a]Pyrimidines as Nalidixic Acid Isosteres . J Am Sci 2012;8(10):617-628]. (ISSN: 1545-1003). http://www.jofamericanscience.org. 85
Keywords: 1,2,4-triazolo[1,5-a]pyrimidines, synthesis, antimicrobial activity, DNA-binding affinity, molecular docking Full Text 85