Articles Accepted

In silico study of new Schiff base- and amide- boronic acid derivatives as potential inhibitors of Beta-lactamases
by Mr. Safaa P. Bahnam, 24 Feb 2023
Co-Author(s): Mahmood H. M Jasim,Ahmed A. J Mahmood

β-Lactam antibiotics, the first natural antibacterial compounds still represent an outstanding class of antibiotics. They are the most effective antibiotics for the treatment of infectious diseases. Unfortunately, the bacterial β-lactamase breaks down the β-lactam ring, and deactivates these drugs. Currently the use of β-lactamase inhibitors in combination with β-lactams reduces this resistance. Hence there is a serious demand to design and create a new anti β-lactamases or inhibitors. This work aimed to design and dock new two series of amides and Schiff bases of the cyclic and noncyclic boronate derivatives inot four subtypes from different two classes of the β-lactamase enzymes. The results revolve possible enhanced activity of 15 out of the 82 compounds compared with the standard inhibitors (clavulanic acid, sulbactam, avabactam and vaborbactam). These compounds show promising docking interactions with active pocket site in all enzymes. We can conclude that both the halogenated and the hydrophobic substituents alone or when containing oxygen atom will potentiate the affinity and the binding ability of any compounds when they added to their structures to act as β-lactamase inhibitors.

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