Suppr超能文献

鉴定青蒿素抗疟药物的曼氏血吸虫分子靶标。

Identification of the Schistosoma mansoni molecular target for the antimalarial drug artemether.

机构信息

Department of Physics, Sapienza University of Rome, Rome, Italy.

出版信息

J Chem Inf Model. 2011 Nov 28;51(11):3005-16. doi: 10.1021/ci2001764. Epub 2011 Oct 28.

Abstract

Plasmodium falciparum and Schistosoma mansonii are the parasites responsible for most of the malaria and schistosomiasis cases in the world. Notwithstanding their many differences, the two agents have striking similarities in that they both are blood feeders and are targets of an overlapping set of drugs, including the well-known artemether molecule. Here we explore the possibility of using the known information about the mode of action of artemether in Plasmodium to identify the molecular target of the drug in Schistosoma and provide evidence that artemether binds to SmSERCA, a putative Ca²⁺-ATPase of Schistosoma . We also predict the putative binding mode of the molecule for both its Plasmodium and Schistosoma targets. Our analysis of the mode of binding of artemether to Ca²⁺-ATPases also provides an explanation for the apparent paradox that, although the molecule has no side effect in humans, it has been shown to possess antitumoral activity.

摘要

疟原虫和曼氏血吸虫是导致世界上大多数疟疾和血吸虫病病例的寄生虫。尽管它们有许多不同之处,但这两种寄生虫有一个显著的相似之处,即它们都是血液寄生虫,并且是一组重叠药物的靶标,包括著名的青蒿素分子。在这里,我们探讨了利用青蒿素在疟原虫中的作用模式的已知信息来识别血吸虫药物的分子靶标的可能性,并提供了青蒿素与 SmSERCA 结合的证据,SmSERCA 是血吸虫的一种假定的 Ca²⁺-ATPase。我们还预测了该分子对其疟原虫和血吸虫靶标的假定结合模式。我们对青蒿素与 Ca²⁺-ATPases 结合模式的分析也为一个明显的悖论提供了解释,即尽管该分子在人类中没有副作用,但已显示出具有抗肿瘤活性。

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验