Monogeneans are parasitic platyhelminths that can harm the health of farmed fish. Few treatments are available against monogeneans, and the incentive to develop new antiparasitic agents is similar or even lower than the incentive for neglected parasitic diseases in humans. Considering that searching for and developing new antimonogenean compounds may require enormous investments of time, money, and animal sacrifice, the use of a computer-guided drug repositioning approach is a reasonable alternative. Under this context, this study aimed to evaluate the effectiveness of plumbagin and bromocriptine against adults and eggs of the monogenean (Diplectanidae). Plumbagin is a phytochemical compound that has recently emerged as a potent antimonogenean; however, further investigation is required to determine its effects on different monogenean species. Bromocriptine was selected through a computational approach that included molecular docking analyses of 77 receptors of monogeneans (putative drug targets) and 77 ligands (putative inhibitors). experiments showed that bromocriptine does not exhibit mortality at concentrations of 0.1, 1, and 10 mg/L whereas plumbagin at 2 and 10 mg/L caused 100% monogenean mortality after 3 h and 30 min, respectively. The most effective concentration of plumbagin (10 mg/L) did not completely inhibit egg hatching. These findings underscore plumbagin as a highly effective agent against adult monogeneans and highlight the need for research to evaluate its effect(s) on fish. Although computational drug repositioning is useful for selecting candidates for experimental testing, it does not guarantee success due to the complexity of biological interactions, as observed here with bromocriptine. Therefore, it is crucial to examine the various compounds proposed by this method.

中文翻译：

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溴隐亭和白花丹素对抗单基因Rhabdosynochus viridis的评价：计算药物重新定位和体外方法


单殖纲动物是寄生扁形动物，会损害养殖鱼类的健康。针对单殖寄生虫的治疗方法很少，并且开发新的抗寄生虫药物的动机与被忽视的人类寄生虫病的动机相似甚至更低。考虑到寻找和开发新的抗单基因化合物可能需要大量的时间、金钱和动物牺牲投入，使用计算机引导的药物重新定位方法是一个合理的替代方案。在此背景下，本研究旨在评估白花丹素和溴隐亭对单殖纲（Diplectanidae）成虫和卵的有效性。白花丹素是一种植物化学化合物，最近作为一种有效的抗单药而出现。然而，需要进一步研究以确定其对不同单殖物种的影响。溴隐亭是通过计算方法选择的，该方法包括对 77 个 monogeneans 受体（假定的药物靶点）和 77 个配体（假定的抑制剂）进行分子对接分析。实验表明，溴隐亭在 0.1、1 和 10 mg/L 的浓度下不会表现出死亡率，而白花丹素在 2 和 10 mg/L 的浓度下分别在 3 小时和 30 分钟后导致 100% 的单殖死亡率。白花丹素的最有效浓度（10 mg/L）并不能完全抑制卵孵化。这些发现强调了白花丹素是对抗成虫单殖体的高效药物，并强调需要进行研究来评估其对鱼类的影响。尽管计算药物重新定位对于选择实验测试的候选药物很有用，但由于生物相互作用的复杂性，它并不能保证成功，正如此处观察到的溴隐亭。 因此，检查该方法提出的各种化合物至关重要。