Al-Khafaji Khattab, Hameed Alhamza D, Shuwaili Marwah
Department of Environmental Science, College of Energy and Environmental Science, Al-Karkh University of Science, Baghdad, 10081, Iraq.
Department of Renewable Energy Science, College of Energy and Environmental Sciences, Al-Karkh University of Science, Baghdad, 10081, Iraq.
Mol Biotechnol. 2025 May 6. doi: 10.1007/s12033-025-01445-1.
Multidrug resistance poses a threat to public health all over the world. Evidences suggest that third-generation antibiotic resistance mediated by extended-spectrum beta-lactamases (ESBLs) in all Enterobacteriaceae species, especially in Enterobacter and Salmonella. In this study, silver nanoparticles (AgNPs) were synthesized and characterized using sol-gel synthesis and powder X-ray diffraction. It was shown that clinical isolates were sensitive to AgNPs. The MIC and MBC, time-dependent growth inhibition test as well as well diffusion agar techniques. ESBL generation was examined using these approaches. There was a low MIC value of 500 μg/ml for Enterobacter and Salmonella. 1000 μg/ml of AgNPs inhibited the development of microorganisms. The antibacterial effect of AgNPs was slow but dependent on concentration and duration. At a concentration of 100 μg/ml, the inhibition zone for Enterobacter was 22 mm, whereas that for Salmonella was 20 mm. Further, molecular docking employed to explore the binding affinity between AgNPs and the active site of beta-lactamase and compare it with reference. Results revealed a very strong score (- 26.79 kcal/mol). Next, MD simulation was performed. The MD simulation results showed a stable interaction between beta-lactamase-nanocluster. Experimental and computational results elucidate the molecular mechanism of anti-bacterial activity of AgNPs to fight against bacterial infections.
多重耐药性对全球公共卫生构成威胁。有证据表明，所有肠杆菌科细菌，尤其是肠杆菌属和沙门氏菌属中由超广谱β-内酰胺酶（ESBLs）介导的第三代抗生素耐药性。在本研究中，采用溶胶-凝胶合成法和粉末X射线衍射法合成并表征了银纳米颗粒（AgNPs）。结果表明临床分离株对AgNPs敏感。通过最低抑菌浓度（MIC）和最低杀菌浓度（MBC）、时间依赖性生长抑制试验以及琼脂扩散技术进行检测。采用这些方法检测ESBL的产生。肠杆菌属和沙门氏菌属的MIC值较低，为500μg/ml。1000μg/ml的AgNPs可抑制微生物生长。AgNPs的抗菌作用缓慢，但取决于浓度和作用时间。在浓度为100μg/ml时，肠杆菌属的抑菌圈为22mm，而沙门氏菌属的抑菌圈为20mm。此外，采用分子对接技术探索AgNPs与β-内酰胺酶活性位点之间的结合亲和力，并与对照进行比较。结果显示得分非常高（-26.79kcal/mol）。接下来，进行了分子动力学（MD）模拟。MD模拟结果表明β-内酰胺酶-纳米簇之间存在稳定的相互作用。实验和计算结果阐明了AgNPs抗菌活性对抗细菌感染的分子机制。
