Institute of Biology, Pedagogical University of Krakow, Podchorążych 2, 30-084 Kraków, Poland.
Chair and Department of Biology and Genetics, Faculty of Pharmacy, Medical University of Lublin, Chodźki 4a, 20-093 Lublin, Poland.
Molecules. 2022 Mar 27;27(7):2155. doi: 10.3390/molecules27072155.
The treatment of parasitic infections requires the application of chemotherapy. In view of increasing resistance to currently in-use drugs, there is a constant need to search for new compounds with anthelmintic activity. A series of 16 cinnamylidene derivatives of rhodanine, including newly synthesized methoxy derivatives (-) and previously obtained chloro, nitro, and diethylamine derivatives (-), was investigated towards anthelmintic activity. Compounds (-) were evaluated against free-living nematodes of the genus sp. In the tested group of rhodanine derivatives, only compound shows very high biological activity (LC = 0.93 µg/µL), which is higher than the reference drug albendazole (LC = 19.24 µg/µL). Crystal structures of two compounds, active and inactive , were determined by the X-ray diffraction method to compare molecular geometry and search for differences responsible for observed biological activity/inactivity. Molecular modelling and selected physicochemical properties prediction were performed to assess the potential mechanism of action and applied in the search for an explanation as to why amongst all similar compounds only one is active. We can conclude that the tested compound can be further investigated as a potential anthelmintic drug.
寄生虫感染的治疗需要应用化学疗法。鉴于目前使用的药物的耐药性不断增加，因此一直需要寻找具有驱虫活性的新化合物。本研究对包括新合成的甲氧基衍生物（-）和以前获得的氯、硝基和二乙胺衍生物（-）在内的 16 个金纳明缩氨基硫脲肉桂酰衍生物进行了驱虫活性研究。对自由生活的 属线虫进行了化合物（-）的评估。在所测试的金纳明衍生物组中，只有化合物 表现出非常高的生物活性（LC = 0.93 µg/µL），高于参考药物阿苯达唑（LC = 19.24 µg/µL）。通过 X 射线衍射法确定了两种化合物（活性化合物 和非活性化合物 ）的晶体结构，以比较分子几何形状并寻找导致观察到的生物活性/非活性差异的原因。进行了分子建模和部分理化性质预测，以评估潜在的作用机制，并应用于寻找为什么在所有类似化合物中只有一个是活性的原因。我们可以得出结论，测试化合物 可以进一步作为一种有潜力的驱虫药物进行研究。
