Chemical Biology & Therapeutics unit, Department of Experimental Medical Science, Lund University , Lund S-22184, Sweden.
Department of Pharmacy, University of Copenhagen , 2100 København Ø, Denmark.
ACS Chem Neurosci. 2016 May 18;7(5):668-80. doi: 10.1021/acschemneuro.6b00024. Epub 2016 Mar 1.
The metabolism of drugs in the brain is difficult to study in most species because of enzymatic instability in vitro and interference from peripheral metabolism in vivo. A locust ex vivo model that combines brain barrier penetration, efflux, metabolism, and analysis of the unbound fraction in intact brains was evaluated using known drugs. Clozapine was analyzed, and its major metabolites, clozapine N-oxide (CNO) and N-desmethylclozapine (NDMC), were identified and quantified. The back-transformation of CNO into clozapine observed in humans was also observed in locusts. In addition, risperidone, citalopram, fluoxetine, and haloperidol were studied, and one preselected metabolite for each drug was analyzed, identified, and quantified. Metabolite identification studies of clozapine and midazolam showed that the locust brain was highly metabolically active, and 18 and 14 metabolites, respectively, were identified. The unbound drug fraction of clozapine, NDMC, carbamazepine, and risperidone was analyzed. In addition, coadministration of drugs with verapamil or fluvoxamine was performed to evaluate drug-drug interactions in all setups. All findings correlated well with the data in the literature for mammals except for the stated fact that CNO is a highly blood-brain barrier permeant compound. Overall, the experiments indicated that invertebrates might be useful for screening of blood-brain barrier permeation, efflux, metabolism, and analysis of the unbound fraction of drugs in the brain in early drug discovery.
由于体外酶不稳定和体内外周代谢的干扰,大多数物种的大脑药物代谢都难以研究。本研究采用一种结合了脑屏障穿透、外排、代谢以及完整大脑中未结合分数分析的蝗虫离体模型,用已知药物对其进行了评估。分析了氯氮平,鉴定并定量了其主要代谢物氯氮平 N-氧化物 (CNO) 和 N-去甲基氯氮平 (NDMC)。在人类中观察到的 CNO 向氯氮平的反向转化也在蝗虫中观察到。此外,还研究了利培酮、西酞普兰、氟西汀和氟哌啶醇,分析、鉴定和定量了每种药物的一个预选代谢物。氯氮平和咪达唑仑的代谢物鉴定研究表明,蝗虫大脑具有高度的代谢活性,分别鉴定出 18 种和 14 种代谢物。分析了氯氮平、卡马西平、利培酮的未结合药物分数。此外,还进行了与维拉帕米或氟伏沙明联合给药的实验,以评估所有设置中的药物-药物相互作用。除了 CNO 是一种高度血脑屏障通透化合物的事实外,所有发现都与哺乳动物文献中的数据非常吻合。总的来说,这些实验表明,无脊椎动物可能有助于在早期药物发现中筛选药物的血脑屏障通透性、外排、代谢以及大脑中未结合分数的分析。