ArticleScientific reports2025
Integrating computational approaches to uncover β-lactamase-associated resistance in diarrheagenic Escherichia coli from pediatric patients.
Article in Scientific reports, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Multidrug-resistant diarrheagenic Escherichia coli (MDR-DEC) increasingly complicates treatment of pediatric infections, largely due to β-lactamase-mediated resistance. Despite their clinical relevance, the evolutionary diversity, functional mechanisms, and therapeutic targeting of β-lactamase enzymes in DEC remain poorly defined. This study addresses that gap by evaluating the prevalence of β-lactamase genes in DEC isolates and exploring their molecular interactions with key antibiotics. This study aims to detect and characterize β-lactamase-producing diarrheagenic Escherichia coli (DEC) isolates from children suffering from diarrhea, and to investigate the underlying drug-target interactions contributing to antimicrobial resistance. A total of 120 E. coli isolates were obtained from pediatric diarrheal, non-diarrheal, and healthy groups. Molecular screening for β-lactamase genes was performed using RT-PCR. Structural modeling, phylogenetic analysis, and molecular docking were used to evaluate evolutionary patterns and drug interactions with ceftriaxone and amoxicillin. β-lactamase enzymes in DEC strains exhibited varying thermal stability and were frequently co-produced. Molecular docking revealed that while amoxicillin had stronger binding affinity for certain enzymes, ceftriaxone demonstrated greater inhibitory potency across key targets. Resistance genes such as bla_TEM, bla_SHV, and bla_CTX-M were central in the resistance network. Additional mechanisms, including efflux pump activity and DNA repair pathways, contributed to the multidrug-resistant phenotype. This study highlights the multifactorial resistance landscape of DEC, driven by diverse β-lactamase variants and supporting mechanisms such as efflux and DNA repair. The differential drug interaction profiles of amoxicillin and ceftriaxone underscore the importance of structure-guided antibiotic selection. These insights may inform more targeted therapeutic strategies and support molecular surveillance efforts to monitor and combat MDR-DEC in pediatric settings.
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