School of Chemistry and Manchester Institute of Biotechnology, University of Manchester, Manchester, United Kingdom.
Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh, Saudi Arabia.
PLoS One. 2018 Jul 13;13(7):e0200272. doi: 10.1371/journal.pone.0200272. eCollection 2018.
Metabolomics-based approaches were applied to understand interactions of trimethoprim with Escherichia coli K-12 at sub-minimum inhibitory concentrations (MIC≈0.2, 0.03 and 0.003 mg L-1). Trimethoprim inhibits dihydrofolate reductase and thereby is an indirect inhibitor of nucleic acid synthesis. Due to the basicity of trimethoprim, two pH levels (5 and 7) were selected which mimicked healthy urine pH. This also allowed investigation of the effect on bacterial metabolism when trimethoprim exists in different ionization states. UHPLC-MS was employed to detect trimethoprim molecules inside the bacterial cell and this showed that at pH 7 more of the drug was recovered compared to pH 5; this correlated with classical growth curve measurements. FT-IR spectroscopy was used to establish recovery of reproducible phenotypes under all 8 conditions (3 drug levels and control in 2 pH levels) and GC-MS was used to generate global metabolic profiles. In addition to finding direct mode-of-action effects where nucleotides were decreased at pH 7 with increasing trimethoprim levels, off-target pH-related effects were observed for many amino acids. Additionally, stress-related effects were observed where the osmoprotectant trehalose was higher at increased antibiotic levels at pH 7. This correlated with glucose and fructose consumption and increase in pyruvate-related products as well as lactate and alanine. Alanine is a known regulator of sugar metabolism and this increase may be to enhance sugar consumption and thus trehalose production. These results provide a wider view of the action of trimethoprim. Metabolomics indicated alternative metabolism areas to be investigated to further understand the off-target effects of trimethoprim.
基于代谢组学的方法被应用于研究甲氧苄啶在低于最低抑菌浓度(MIC≈0.2、0.03 和 0.003mg/L)下与大肠杆菌 K-12 的相互作用。甲氧苄啶抑制二氢叶酸还原酶,因此是核酸合成的间接抑制剂。由于甲氧苄啶具有碱性,选择了两个 pH 值(5 和 7),分别模拟健康尿液的 pH 值。这也允许研究当甲氧苄啶处于不同的电离状态时对细菌代谢的影响。UHPLC-MS 被用于检测细菌细胞内的甲氧苄啶分子,结果表明在 pH 7 时,与 pH 5 相比,更多的药物被回收;这与经典的生长曲线测量结果相关。傅里叶变换红外光谱(FT-IR)被用于在所有 8 种条件(3 种药物水平和 2 种 pH 值对照)下建立可重复的表型恢复,GC-MS 被用于生成全局代谢谱。除了在 pH 7 时随着甲氧苄啶水平的增加而发现核苷酸减少的直接作用模式外,还观察到许多氨基酸的非靶向 pH 相关效应。此外,还观察到与应激相关的效应,即在 pH 7 时,随着抗生素水平的升高,渗透保护剂海藻糖的含量也更高。这与葡萄糖和果糖的消耗以及与丙酮酸相关的产物以及乳酸和丙氨酸的增加有关。丙氨酸是糖代谢的已知调节剂,这种增加可能是为了增强糖的消耗,从而提高海藻糖的产量。这些结果提供了对甲氧苄啶作用的更广泛的认识。代谢组学表明需要研究替代代谢途径,以进一步了解甲氧苄啶的非靶向效应。