dc.description.abstract |
Wastewater discharged from hospitals is a recognized contributor to the
dissemination of antibiotic-resistant bacteria and their associated genetic
traits into the environment. This study focused on the analysis of β-lactamase-
producing pathogenic bacteria within untreated biomedical wastewater
originating from various hospitals in Dhaka City, Bangladesh, as well as in
silico evaluation and structural activity relationship mentioned antibiotics
were evaluated. In silico drug design techniques were applied to identify the
relationship with how the functional group impacts the binding energy. Out
of the 184 isolates obtained from well-established hospital sewage discharge
points in Dhaka, 89 were identified as β-lactamase positive. These bacteria
were subjected to antimicrobial susceptibility testing using the VITEK-2
assay, and their profiles of extended-spectrum beta-lactamase (ESBL)
production were determined through molecular methodologies. Among
the β-lactamase-positive isolates, considerable resistance was observed,
particularly against ampicillin, Ceftriaxone, Cefuroxime, and Meropenem.
The predominant resistant species included Escherichia coli, Acinetobacter
baumannii, Pseudomonas aeruginosa, and Enterobacter cloacae. The study
identified the prevalence of ESBL-producing genes, with blaNDM-1 being
the most prevalent, followed by blaOXA-1, blaSHV, blaCTX-M, and blaKPC. None
of the isolates carried the blaTEM gene. In addition to characterizing these
bacteria, the research explored ways to enhance the binding energy of four
existing antibiotics as new inhibitors through computational studies. The
findings revealed significant improvements in binding energy. Specifically,
Meropenem initially exhibited a binding energy of −7.5 kcal/mol, notably increasing to −8.3 kcal/mol after modification. With an initial binding energy was only −7.9 kcal/mol, Ampicillin experienced an enhancement,
reaching −8.0 kcal/mol post-modification. Similarly, Ceftriaxone, with an
initial binding energy of −8.2 kcal/mol, increased to −8.5 kcal/mol following
structural adjustments. Finally, Cefuroxime, initially registering a binding
energy of −7.1 kcal/mol, substantially increased to −8.9 kcal/mol after
modification. This finding establishes a foundation for future investigations
in the development of modified antibiotics to address the issue of antibiotic
resistance. It presents prospective remedies for the persistent problem of
antibiotic-resistant bacteria in healthcare and the environment. |
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