Abstract：
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 Rhabdosynochus viridisi (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). In vitro 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.
摘要：
单基因组是寄生的鸭嘴兽，会损害养殖鱼类的健康。很少有针对单基因的治疗方法，并且开发新的抗寄生虫药的动机与人类被忽视的寄生虫病的动机相似甚至更低。考虑到寻找和开发新的锑化合物可能需要大量的时间投资，钱，和动物祭祀，使用计算机引导的药物重新定位方法是一种合理的替代方法.在此背景下,本研究旨在评估白杨素和溴隐亭对单系病毒横纹肌(Diplectanidae)成虫和卵的有效性。Plumbagin是一种植物化学化合物，最近已成为一种有效的抗独素；然而，需要进一步调查以确定其对不同单系物种的影响。溴隐亭是通过一种计算方法选择的，该计算方法包括对77个单核细胞受体（推定的药物靶标）和77个配体（推定的抑制剂）的分子对接分析。体外实验表明，溴隐亭在浓度为0.1、1和10mg/L时不表现出死亡率，而在2和10mg/L时，白花霉素在3小时和30分钟后引起100％的单系死亡率。分别。最有效浓度的plumbagin（10mg/L）不能完全抑制卵孵化。这些发现强调了plumbagin是对抗成年单基因的高效药物，并强调了需要进行研究以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人很有用，由于生物相互作用的复杂性，它不能保证成功，正如在这里观察到的溴隐亭。因此,它是至关重要的检查各种化合物提出的这种方法。
