Leishmaniasis is a neglected disease caused by the protozoa Leishmania ssp. Environmental differences found by the parasites in the vector and the host are translated into cellular stress, leading to the production of heat shock proteins (Hsp). These are molecular chaperones involved in the folding of nascent proteins as well as in the regulation of gene expression, signalling events and proteostasis. Since Leishmania spp. use Hsp90 to trigger important transitions between their different stages of the life cycle, this protein family becomes a profitable target in anti-parasite drug discovery. In this work, we implemented a multidisciplinary strategy coupling molecular modelling with in vitro assays to identify small molecules able to inhibit Hsp90 from L. braziliensis (LbHsp90). Overall, we identified some compounds able to kill the promastigote form of the L. braziliensis, and to inhibit LbHsp90 ATPase activity.

中文翻译：

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发现巴西利什曼原虫Hsp90伴侣小分子抑制剂。

利什曼病是由原虫利什曼原虫ssp引起的被忽视的疾病。载体和宿主中的寄生虫发现的环境差异会转化为细胞应激，从而导致产生热激蛋白（Hsp）。这些是分子伴侣，参与新生蛋白质的折叠以及基因表达，信号转导事件和蛋白稳态的调节。自利什曼原虫属。通过使用Hsp90来触发生命周期不同阶段之间的重要过渡，该蛋白家族成为抗寄生虫药物发现中的一项有利可图的目标。在这项工作中，我们实现了分子模型与体外测定相结合的多学科策略，以鉴定能够抑制巴西乳杆菌Hsp90（LbHsp90）的小分子。总体，