具有体内抗甲型病毒活性的共价nsP2蛋白酶抑制剂的物种依赖性代谢

IF 6.8 1区 医学 Q1 CHEMISTRY, MEDICINAL
Mohammad Anwar Hossain, Abigail K. Mayo, Anirban Ghoshal, Sharon Taft-Benz, Elizabeth Anderson, Noah L. Morales, Katia D. Pressey, Ava Vargason, Kim L. R. Brouwer, Nathaniel J. Moorman, Mark T. Heise and Timothy M. Willson*, 
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引用次数: 0

摘要

RA-0002034(1)是一种有效的共价抑制剂,靶向nsP2半胱氨酸蛋白酶。研究了1的种依赖药代动力学和代谢,以评价其治疗潜力。药代动力学分析显示小鼠的快速清除,主要由谷胱甘肽s -转移酶(GST)催化的偶联介导。这种代谢倾向与在人类肝细胞和临床前物种(如大鼠、狗和猴子)中观察到的较慢的清除形成对比。跨物种研究证实了gst驱动的代谢在小鼠中占主导地位,而氧化途径在狗中更为明显。尽管有快速的全身清除,1在小鼠中取得了抗病毒效果,减少了基孔肯雅(CHIKV)病毒在多个组织中的载量。这些跨物种药代动力学和代谢研究支持继续评估1作为潜在的抗病毒治疗药物,以进一步确定肝脏和非肝脏GST代谢对人体清除的贡献。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Species-Dependent Metabolism of a Covalent nsP2 Protease Inhibitor with In Vivo Antialphaviral Activity

RA-0002034 (1) is a potent covalent inhibitor targeting the nsP2 cysteine protease. The species-dependent pharmacokinetics and metabolism of 1 were investigated to evaluate its therapeutic potential. Pharmacokinetic profiling revealed rapid clearance in mice, predominantly mediated by glutathione S-transferase (GST)-catalyzed conjugation. This metabolic liability contrasted with slower clearance observed in human hepatocytes and preclinical species, such as rats, dogs, and monkeys. Cross-species studies confirmed the dominance of GST-driven metabolism in mice, whereas oxidative pathways were more pronounced in dogs. Despite rapid systemic clearance, 1 achieved antiviral efficacy in mice, reducing chikungunya (CHIKV) viral loads in multiple tissues. These cross-species pharmacokinetic and metabolism studies support the continued evaluation of 1 as a potential antialphaviral therapeutic to further define the contribution of hepatic and non-hepatic GST metabolism to its clearance in humans.

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来源期刊
Journal of Medicinal Chemistry
Journal of Medicinal Chemistry 医学-医药化学
CiteScore
4.00
自引率
11.00%
发文量
804
审稿时长
1.9 months
期刊介绍: The Journal of Medicinal Chemistry is a prestigious biweekly peer-reviewed publication that focuses on the multifaceted field of medicinal chemistry. Since its inception in 1959 as the Journal of Medicinal and Pharmaceutical Chemistry, it has evolved to become a cornerstone in the dissemination of research findings related to the design, synthesis, and development of therapeutic agents. The Journal of Medicinal Chemistry is recognized for its significant impact in the scientific community, as evidenced by its 2022 impact factor of 7.3. This metric reflects the journal's influence and the importance of its content in shaping the future of drug discovery and development. The journal serves as a vital resource for chemists, pharmacologists, and other researchers interested in the molecular mechanisms of drug action and the optimization of therapeutic compounds.
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