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美洛昔康的甲基决定了其对噻唑生物活化的酶特异性,与舒多昔康相比。

Meloxicam methyl group determines enzyme specificity for thiazole bioactivation compared to sudoxicam.

机构信息

Department of Biochemistry and Molecular Biology, University of Arkansas for Medical Sciences, 4301 W Markham St, Little Rock, AR, 72205, United States.

Department of Pathology and Immunology, 660 S Euclid Ave, Washington University, St. Louis, MO, 63130, United States.

出版信息

Toxicol Lett. 2021 Mar 1;338:10-20. doi: 10.1016/j.toxlet.2020.11.015. Epub 2020 Nov 27.

Abstract

Meloxicam is a thiazole-containing NSAID that was approved for marketing with favorable clinical outcomes despite being structurally similar to the hepatotoxic sudoxicam. Introduction of a single methyl group on the thiazole results in an overall lower toxic risk, yet the group's impact on P450 isozyme bioactivation is unclear. Through analytical methods, we used inhibitor phenotyping and recombinant P450s to identify contributing P450s, and then measured steady-state kinetics for bioactivation of sudoxicam and meloxicam by the recombinant P450s to determine relative efficiencies. Experiments showed that CYP2C8, 2C19, and 3A4 catalyze sudoxicam bioactivation, and CYP1A2 catalyzes meloxicam bioactivation, indicating that the methyl group not only impacts enzyme affinity for the drugs, but also alters which isozymes catalyze the metabolic pathways. Scaling of relative P450 efficiencies based on average liver concentration revealed that CYP2C8 dominates the sudoxicam bioactivation pathway and CYP2C9 dominates meloxicam detoxification. Dominant P450s were applied for an informatics assessment of electronic health records to identify potential correlations between meloxicam drug-drug interactions and drug-induced liver injury. Overall, our findings provide a cautionary tale on assumed impacts of even simple structural modifications on drug bioactivation while also revealing specific targets for clinical investigations of predictive factors that determine meloxicam-induced idiosyncratic liver injury.

摘要

美洛昔康是一种噻唑类 NSAID,尽管其结构与肝毒性舒多昔康相似,但因其具有良好的临床疗效而获得批准上市。噻唑环上引入一个甲基基团会导致整体毒性风险降低,但该基团对 P450 同工酶生物活化的影响尚不清楚。通过分析方法,我们使用抑制剂表型和重组 P450 来鉴定相关的 P450,并测量重组 P450 对舒多昔康和美洛昔康生物活化的稳态动力学,以确定相对效率。实验表明,CYP2C8、2C19 和 3A4 催化舒多昔康的生物活化,而 CYP1A2 催化美洛昔康的生物活化,这表明甲基基团不仅影响药物与酶的亲和力,还改变了哪种同工酶催化代谢途径。基于平均肝浓度的相对 P450 效率的缩放表明,CYP2C8 主导舒多昔康的生物活化途径,CYP2C9 主导美洛昔康的解毒。主导的 P450 被应用于电子健康记录的信息学评估,以识别美洛昔康药物相互作用与药物性肝损伤之间的潜在相关性。总的来说,我们的研究结果提供了一个警示故事,即即使是简单的结构修饰也会对药物生物活化产生假设影响,同时也揭示了特定的目标,用于临床研究决定美洛昔康诱导的特异质性肝损伤的预测因素。

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本文引用的文献

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