Advance Screening of Bis-azetidinone Derivatives: Synthesis, Spectroscopy, Antioxidant and Antimicrobial Analysis with Molecular Docking Assessment.

Abstract

Introduction: This study includes synthesis, characterizations, antimicrobial, antioxidant, and docking molecular study of novel Bis-Azetidinone compounds that combined two units of β-lactam rings .In the present investigation, the aromatic aldehydes with primary amine were condensed to create Schiff's base, which was then reacted with chloroacetylchloride to produce bis-Azetidinone compounds.

Methods: Melting points, FTIR, and NMR spectrum analyses were used to examine the morphological and topological characteristics of the Bis-Azetidinone compounds. The results indicate that the prepared Compounds synthesis has excellent antimicrobial activity against both Gram-negative (Escherichia coli,), Gram-positive bacteria (Staphylococcus aureus) and fungal (Candida albicans) and also indicated that the Compounds synthesis (A2) gave a higher antimicrobial effect than the B2, C2. The synergistic activity was examined against the pathogenic microbial strains. It was observed that employing compound synthesis combined with antibiotics enhanced the synergistic efficacy compared to using compound synthesis alone or antibiotic alone on Gram-positive bacteria and fungi.

Results: The antioxidant efficiency was assessed by DPPH, the results show that the compound synthesis has antioxidant activity, and also indicated that the synthesized compound (A2) gave a higher antioxidant effect than the B2, C2. Docking study confirmed via redocking of crystalized substrate or inhibitor within target binding pocket. The docking results reveal that the synthesized compounds, with a total binding affinity of less than -48 kcal/mol, could be clinically used for future therapeutic purposes.

Conclusion: The present research demonstrates the advantageous effectiveness of a simpler production procedure, novel Bis-Azetidinone compounds, for producing high-purity with low hazard that may be utilized as future possible medical therapies.