Most of the hematophagous insects act as disease vectors, including Aedes aegypti, responsible for transmitting some of the most critical arboviruses globally, such as Dengue. The use of repellents based on natural products is a promising alternative for personal protection compared to industrial chemical repellents. In this study, the repellent effect of essential oils extracted from Lippia thymoides, Lippia alba, Cymbopogon winterianus, and Eucalyptus globulus leaves was evaluated. Essential oils used showed repellent activity against Ae. aegypti in laboratory bioassays, obtaining protection rates above 70 % from 3.75 mg/mL and higher concentration for all analyzed oils. GC/MS identified 57 constituents, which were used in the ligand-based pharmacophore model to expose compounds with requirements for repellents that modulate mosquitoes behavior through odorant-binding protein 1 Ae. aegypti. Ligand-based pharmacophore model approach results suggested that repellent activity from C. winterianus, L. alba, and L. thymoides essential oils’ metabolites is related to Citronelal (QFIT=26.77), Citronelol (QFIT=11.29), Citronelol acetate (QFIT=52.22) and Geranil acetate (QFIT=10.28) with synergistic or individual activity. E. globulus essential oil's repellent activity is associated with Ledol (0.94 %; QFIT=41.95). Molecular docking was applied to understand the binding mode and affinity of the essential oils’ data set at the protein binding site. According to molecular docking, Citronelol (ChemPLP=60.98) and geranyl acetate (ChemPLP=60.55) were the best-classified compounds compared to the others and they can be explored to develop new repellents.

中文翻译：

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通过生物测定和硅胶测定鉴定针对埃及伊蚊（双翅目：库利科）的生物活性化合物

大多数食血昆虫都是疾病媒介，包括埃及伊蚊，它负责在全球传播一些最重要的虫媒病毒，如登革热。与工业化学驱虫剂相比，使用基于天然产品的驱虫剂是一种很有前途的个人防护替代方案。在这项研究中，从提取精油的驱蚊效果马鞭草thymoides，马鞭草阿尔巴，香茅winterianus，和蓝桉叶进行了评价。使用的精油显示出对Ae 的驱避活性。埃及在实验室生物测定中，从 3.75 mg/mL 和更高浓度的所有分析油中获得超过 70% 的保护率。GC/MS 确定了 57 种成分，这些成分用于基于配体的药效团模型，以暴露需要驱虫剂的化合物，通过气味结合蛋白 1 Ae调节蚊子的行为。埃及人。基于配体的药效团模型方法结果表明，来自C. Winterianus、L. alba和L. thymoides精油代谢物的驱避活性与香茅醛 (QFIT=26.77)、香茅醇 (QFIT=11.29)、醋酸香茅醇 (QFIT= 52.22) 和醋酸香叶 (QFIT=10.28) 具有协同或单独的活性。E. globulus精油的驱蚊活性与 Ledol (0.94 %; QFIT=41.95) 相关。分子对接用于了解精油数据集在蛋白质结合位点的结合模式和亲和力。根据分子对接，香茅醇 (ChemPLP=60.98) 和醋酸香叶酯 (ChemPLP=60.55) 是分类最好的化合物，可以探索它们来开发新的驱虫剂。