Multidrug resistance due to the expression of extended spectrum β-lactamases (ESBLs) by bacterial pathogens is an alarming health concern with huge socio-economic burden. Here, 102 bacterial isolates from Wastewater treatment plants (WTPs) were screened for resistance to different antibiotics. Kirby-Bauer method and phenotypic disc confirmatory test confirmed the prevalence of 20 ESBLs. Polymerase chain reaction-based detection confirmed 11 bla_CTX-M positive bacterial isolates. Genotyping of bacterial isolates by 16S rRNA gene sequencing showed the dissemination of bla_CTX-M in Escherichia fergusonii, Escherichia coli, Shigella sp., Kluyvera georgiana and Enterobacter sp. Amongst Kluyvera georgiana isolates, two were harboring bla_CTX-M-152. The 3D model of CTX-M-152 protein was generated using SwissProt and characterized by Ramachandran plot and SAVES. A library of natural compounds was screened to identify novel CTX-M-152 inhibitor(s). High-throughput virtual screening (HTVS), standard precision (SP) and extra precision (XP) docking led to the identification of five natural compounds (Naringin dihydrochalcone, Salvianolic acid B, Inositol, Guanosine and Ellagic acid) capable of binding to active site of CTX-M-152. Futher, characterization by MM-GBSA (Molecular Mechanism General Born Surface Area), and ADMET (Adsorption, Distribution, Metabolism, Excretion and Toxicity) showed that Ellagic acid was the most potent inhibitor of CTX-M-152. Molecular dynamics simulation also confirmed that Ellagic acid form a stable complex with CTX-M-152. The ability of Ellagic acid to inhibit growth of bacteria harboring CTX-M-152 was confirmed by MIC (Minimum Inhibitory Concentration; broth dilution method) and Zone of Inhibition (ZOI) studies with respect to Cefotaxime. The identification of a novel inhibitor of CTX-M-152 from a natural source holds promise for employment in the control of bacterial infections.

由于细菌病原体表达超广谱β-内酰胺酶（ESBLs）而引起的多药耐药性是一个令人担忧的健康问题，具有巨大的社会经济负担。在这里，筛选了来自废水处理厂（WTP）的102个细菌分离株对不同抗生素的抗性。Kirby-Bauer方法和表型椎间盘确证试验证实了20种ESBL的流行。基于聚合酶链反应的检测证实了11 bla _CTX-M阳性细菌分离株。通过16S rRNA基因测序的基因分型细菌分离株的显示出的传播BLA _CTX-M在大肠杆菌fergusonii，大肠杆菌，志贺氏菌属，克吕沃尔乔治亚娜和肠杆菌属。在克鲁斯韦拉佐治亚州分离物中，有两个携带bla _CTX-M-152。使用SwissProt生成了CTX-M-152蛋白的3D模型，并以Ramachandran图和SAVES为特征。筛选天然化合物的文库以鉴定新的CTX-M-152抑制剂。高通量虚拟筛选（HTVS），标准精密度（SP）和超精密度（XP）对接导致鉴定了能够与活性位点结合的五种天然化合物（萘丁酸二氢查耳酮，丹酚酸B，肌醇，鸟苷和鞣花酸） CTX-M-152。此外，通过MM-GBSA（分子机理的总表面积）和ADMET（吸附，分布，代谢，排泄和毒性）进行表征，结果表明，鞣花酸是CTX-M-152最有效的抑制剂。分子动力学模拟还证实，鞣花酸与CTX-M-152形成稳定的复合物。通过MIC（最小抑制浓度；肉汤稀释法）和对头孢噻肟的抑制区（ZOI）研究证实了鞣花酸抑制具有CTX-M-152的细菌生长的能力。从天然来源鉴定出新型的CTX-M-152抑制剂，有望在控制细菌感染中应用。