Several reports have suggested that glutathione (GSH) has antibacterial activity. However, the mechanism by which GSH inhibits microbial growth is a mystery. GSH has a structure similar to the antibiotic precursors of Penicillium that work as inhibitors of the d-alanyl-d-alanine-carboxypeptidase (DacC) enzyme. DacC catalyzes glycopeptides (d-alanyl-alanine) to form peptidoglycan in cell walls. Our objective was to study the potential mechanism of GSH as an inhibitor of the DacC enzyme in silico. Then, its activity that inhibited the growth of Salmonella typhi in vitro was tested. The binding affinity between GSH and DacC was examined by molecular docking. The pharmacophore of GSH was evaluated by Molinspiration and SwissADME. The stability of the GSH–DacC complex was measured by molecular dynamics, whereas antibacterial activity was examined by the disk diffusion and dilution methods, and then by scanning electron microscopy. The results indicate that GSH has the same ability as ampicillin in binding to the active site of DacC. GSH is capable of inhibiting the growth of S. typhi in vitro and is even known to cause cell wall damage. absorption, distribution, metabolism, and excretion predictions indicate that the properties of GSH are comparable to those of ampicillin. GSH is assumed to exert antibacterial activity by inhibiting the DacC enzyme, which might inhibit bacterial cell wall synthesis.

几份报告表明，谷胱甘肽（GSH）具有抗菌活性。然而，谷胱甘肽抑制微生物生长的机制是一个谜。GSH具有类似于的抗生素前体的结构青霉该工作作为抑制剂d -alanyl- d丙氨酸，羧肽酶（DACC）酶。DacC催化糖肽（d-丙氨酰-丙氨酸）在细胞壁上形成肽聚糖。我们的目标是研究GSH在计算机中作为DacC酶抑制剂的潜在机制。然后，其活性抑制伤寒沙门氏菌的生长在体外进行了测试。通过分子对接检查了GSH和DacC之间的结合亲和力。GSH的药效基团通过Molinspiration和SwissADME进行评估。GSH-DacC复合物的稳定性是通过分子动力学测定的，而抗菌活性是通过盘扩散和稀释方法，然后通过扫描电子显微镜检查的。结果表明，GSH与氨苄青霉素具有相同的结合DacC活性位点的能力。GSH能够抑制伤寒链球菌的生长甚至在体外都会引起细胞壁损伤。吸收，分布，代谢和排泄的预测表明GSH的性质与氨苄西林相当。假定GSH通过抑制DacC酶发挥抗菌活性，而DacC酶可能抑制细菌细胞壁的合成。