Bioinformatic Inhibition of β.docx

Class D β-lactamases (OXA) are bacterial enzymes that confer resistance to β-lactam antibiotics, including carbapenems, posing a critical challenge in the treatment of multidrug-resistant infections. This study employs bioinformatic tools to characterize OXA β-lactamase sequences and evaluate reported inhibitor compounds from public databases. A total of 25 OXA sequences were retrieved from UniProt and compounds with bioactivity data (IC₅₀) from ChEMBL were analyzed, initially focusing on β-lactamase TEM due to higher data availability. Seven potent compounds (IC₅₀ ≤ 35 nM) were identified, highlighting CHEMBL263746 (IC₅₀ = 0.4 nM). The results, visualized through graphs, show high inhibitor affinity, although applicability to OXA requires further data. This work highlights the usefulness of bioinformatics for identifying promising candidates and proposes further investigations to address OXA β-lactamases, contributing to the fight against antimicrobial resistance.