Salam Sara A Abdel, El-Darier Salama M, Ashmawy Mohamed I, Abdelaziz Marwa, Arafa Fadwa M
Department of Medical Parasitology, Faculty of Medicine, Alexandria University, Alexandria, Egypt.
Department of Botany and Microbiology, Faculty of Science, Alexandria University, Alexandria, Egypt.
BMC Complement Med Ther. 2025 Jul 9;25(1):250. doi: 10.1186/s12906-025-04996-7.
Despite its deleterious effects, modest activity in muscular larval stages and burgeoning resistance, the control of trichinellosis relies primarily on albendazole. To avert the shortfalls, Rosmarinus officinalis essential oil (ROEO), a promising traditional African phytotherapeutic agent, has been harnessed to evaluate its therapeutic profile on murine trichinellosis.
Employing in silico molecular docking, the interaction between phytochemicals of ROEO and possible targets, tubulin tyrosine ligase and thymidylate synthase was explored. The in vivo anti-Trichinella activity of a five-day oral treatment of 400 mg/kg/dose of ROEO was assessed against adult and larval stages via parasitological, ultrastructural, biochemical and histopathological studies.
Molecular docking analysis revealed that the main constituents of ROEO exhibited variable interactions with both targets. Parasitologically, ROEO administration recorded a statistically significant reduction (84.0%R and 73.5%R) in mean worms recovered during the intestinal and muscular phases, respectively. Severe topographic deformities were observed in ROEO-treated worms. Biochemically, the highest antioxidant reduced glutathione level that constrained the detrimental oxidant malondialdehyde in serum was achieved by ROEO. Histopathologically, ROEO had obviously ameliorated inflammatory and fibrotic responses during the muscular stage.
This study is the first to highlight the in silico molecular docking and in vivo anti-Trichinella activity of ROEO. Its potentiality in inducing multistage activity and mitigating the inflammation in both intestine and muscles was greatly indebted to suppressing targeted proteins and its high antioxidant activity.
尽管旋毛虫病有害，且在肌肉幼虫阶段有适度活动以及耐药性不断增加，但旋毛虫病的控制主要依赖于阿苯达唑。为避免这些不足，迷迭香叶精油（ROEO）这种有前景的非洲传统植物治疗剂已被用于评估其对小鼠旋毛虫病的治疗效果。
利用计算机辅助分子对接技术，探索了ROEO的植物化学成分与可能的靶点——微管蛋白酪氨酸连接酶和胸苷酸合成酶之间的相互作用。通过寄生虫学、超微结构、生化和组织病理学研究，评估了以400mg/kg/剂量口服ROEO进行为期五天的治疗对成虫和幼虫阶段的体内抗旋毛虫活性。
分子对接分析表明，ROEO的主要成分与两个靶点均表现出不同的相互作用。在寄生虫学方面，给予ROEO后，在肠道和肌肉阶段回收的平均虫数分别有统计学意义的显著减少（分别减少84.0%和73.5%）。在经ROEO处理的虫体中观察到严重的形态畸形。在生化方面，ROEO使血清中具有抗氧化作用的还原型谷胱甘肽水平达到最高，从而抑制了有害的氧化物质丙二醛。在组织病理学方面，ROEO明显改善了肌肉阶段的炎症和纤维化反应。
本研究首次突出了ROEO的计算机辅助分子对接和体内抗旋毛虫活性。其在诱导多阶段活性以及减轻肠道和肌肉炎症方面的潜力很大程度上归功于对靶向蛋白的抑制及其高抗氧化活性。
