Synthesis, in silico Profiling, in vitro Anthelmintic and Antibacterial Activities of Novel 6-Bromo-2-Phenyl-3-Substituted Quinazolin-4(3H)-ones

Abstract

In this study, eight novel derivatives of 6-bromo-2-phenyl-3-substituted quinazolin-4(3H)-ones were synthesized, which was achieved through the use of bromoanthranilic acid, benzoyl chloride, and different substituted amino synthons. The chemical structures of these compounds through IR spectroscopy, 1H NMR spectroscopy, and mass spectrometry were successfully characterized. By employing computational tools like PASS, Molinspiration, Osiris, and Swiss ADME, we made predictions about the properties of these molecules. These predictions encompassed factors such as anthelmintic and antibacterial traits, drug-likeness, bioactivity scores, toxicity, and potential molecular targets. Furthermore, we performed in vitro assays to evaluate the bioactivities of the synthesized compounds. For anthelmintic effectiveness, the conventional method of assessing paralysis and mortality in earthworms for each compound was followed. The antibacterial efficacy was tested against both Gram-positive and Gram-negative bacterial strains, using the agar cup plate technique. The results of these assays provide valuable insights into the potential of these compounds as agents with anthelmintic and antibacterial properties.