Abstract
A new series of antibacterial pyrazolo-triazolo-pyrimidine derivatives 3a-3i were synthesized in two steps starting from aminopyrazole 1 and characterized by 1H NMR 13C NMR and HRES-MS. Their molecular geometry are also calculated by the Density Functional Theory (DFT) employing B3LYP level with 6-311G (d,p) basis set. All the synthesized compounds were tested for in vitro antibacterial activity against a panel of selected bacterial strains, by application of the Disc-Diffusion and MIC assays, using gentamicin as standard. The interactions of these compounds with the bacteria Pseudomonas aeruginosa (LasR) were performed by molecular docking studies.
•A series of new pyrazolo-triazolo-pyrimidines 3a-3i was synthesized and characterized.•Antibacterial activity of all synthesized compounds have been studied.•Compounds 3a-3i possess significant antibacterial activity against selected strains.•The Molecular docking and DFT analysis proved the activity of 3d towards Pseudomonas aeruginosa.